5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine

C148H110N4S2 — CID 166659194

IUPAC5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)sc3c5ccccc5c(N(c5ccccc5)c5ccc(-c6cccc(-c7ccc8cc9c(cc8c7)-c7ccc(N(c8ccc%10c(c8)sc8cc(N(c%11ccc%12c(c%11)C(C)(C)c%11cc%13ccccc%13cc%11-%12)c%11cccc%12c%11C(C)(C)c%11ccccc%11-%12)ccc8%10)c8cccc%10c8C(C)(C)c8ccccc8-%10)cc7C9(C)C)c6)c6ccccc56)cc43)ccc21
InChIInChI=1S/C148H110N4S2/c1-143(2)124-50-27-25-43-107(124)121-79-95(63-71-127(121)143)149(96-57-64-108-104-40-22-26-49-123(104)144(3,4)130(108)80-96)99-60-69-115-122-86-136(112-45-20-21-46-118(112)142(122)154-139(115)83-99)152(94-37-14-13-15-38-94)133-72-70-102(103-39-18-19-44-111(103)133)92-36-30-35-87(73-92)90-55-56-91-78-129-120(76-93(91)74-90)110-66-59-98(82-132(110)146(129,7)8)151(135-54-32-48-117-106-42-24-29-52-126(106)148(11,12)141(117)135)101-62-68-114-113-67-61-100(84-137(113)153-138(114)85-101)150(134-53-31-47-116-105-41-23-28-51-125(105)147(9,10)140(116)134)97-58-65-109-119-75-88-33-16-17-34-89(88)77-128(119)145(5,6)131(109)81-97/h13-86H,1-12H3
InChIKeyZPFTZEXKXWOGIR-UHFFFAOYSA-N
MW2008.67 g/mol
LogP42.09
Rot. Bonds14

About 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine

5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine (PubChem CID 166659194) has the molecular formula C148H110N4S2 and a molecular weight of 2008.67 g/mol. Its IUPAC name is 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine.

Molecular Properties

Compound Name5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine
PubChem CID166659194
Molecular FormulaC148H110N4S2
Molecular Weight2008.67 g/mol
Exact Mass2006.82
IUPAC Name5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)sc3c5ccccc5c(N(c5ccccc5)c5ccc(-c6cccc(-c7ccc8cc9c(cc8c7)-c7ccc(N(c8ccc%10c(c8)sc8cc(N(c%11ccc%12c(c%11)C(C)(C)c%11cc%13ccccc%13cc%11-%12)c%11cccc%12c%11C(C)(C)c%11ccccc%11-%12)ccc8%10)c8cccc%10c8C(C)(C)c8ccccc8-%10)cc7C9(C)C)c6)c6ccccc56)cc43)ccc21
InChIInChI=1S/C148H110N4S2/c1-143(2)124-50-27-25-43-107(124)121-79-95(63-71-127(121)143)149(96-57-64-108-104-40-22-26-49-123(104)144(3,4)130(108)80-96)99-60-69-115-122-86-136(112-45-20-21-46-118(112)142(122)154-139(115)83-99)152(94-37-14-13-15-38-94)133-72-70-102(103-39-18-19-44-111(103)133)92-36-30-35-87(73-92)90-55-56-91-78-129-120(76-93(91)74-90)110-66-59-98(82-132(110)146(129,7)8)151(135-54-32-48-117-106-42-24-29-52-126(106)148(11,12)141(117)135)101-62-68-114-113-67-61-100(84-137(113)153-138(114)85-101)150(134-53-31-47-116-105-41-23-28-51-125(105)147(9,10)140(116)134)97-58-65-109-119-75-88-33-16-17-34-89(88)77-128(119)145(5,6)131(109)81-97/h13-86H,1-12H3
InChIKeyZPFTZEXKXWOGIR-UHFFFAOYSA-N
XLogP42.09
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002008.67
LogP ≤ 542.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]fluoren-3-amine;9,9-dimethyl-N-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]fluoren-1-amine;N-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N,4-diphenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;N-[4-[4-[4-(3,5-diphenylphenyl)-N-naphthalen-1-ylanilino]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-2-amine;N-[4-[4-(N-naphthalen-1-yl-3,5-diphenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-naphthalen-1-yl-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]naphthalen-2-amine
CID 160835210
15-(4-dibenzothiophen-3-ylphenyl)-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;15-[3,5-di(dibenzothiophen-4-yl)phenyl]-11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaene;9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)fluoren-2-amine;N,N-diphenyl-4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)aniline;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-1-amine;N-phenyl-N-[4-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]phenyl]naphthalen-2-amine
CID 158439905
7-N-(11,11-dimethylbenzo[h]fluoren-1-yl)-2-N,7-N-diphenyl-2-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 170410183
11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;N,N-diphenyl-4-[2-[4-(N-phenylanilino)phenyl]spiro[benzo[b]fluorene-11,9'-fluorene]-8-yl]aniline;N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]spiro[benzo[b]fluorene-11,9'-fluorene]-2-yl]naphthalen-1-amine
CID 165033930
9,9-dimethyl-N-[4-[8-[4-[4-(N-(4-naphtho[1,2-b][1]benzothiol-4-ylnaphthalen-1-yl)anilino)phenyl]phenyl]naphtho[1,2-b][1]benzothiol-4-yl]naphthalen-2-yl]-N-phenylfluoren-2-amine
CID 146294960
N-(11,11-dimethylbenzo[a]fluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[b]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine;N-(9,9-dimethylfluoren-3-yl)-11,11-dimethyl-N-(4-phenylphenyl)benzo[a]fluoren-3-amine
CID 159039363
11,11-dimethyl-N,N-diphenylbenzo[a]fluoren-3-amine;11,11-dimethyl-N,N-diphenyl-2-[4-(N-phenylanilino)phenyl]benzo[b]fluoren-8-amine;11,11-dimethyl-N,N-diphenyl-8-[4-(N-phenylanilino)phenyl]benzo[b]fluoren-2-amine
CID 163735962
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
CID 177079863
N-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]triphenylen-2-amine;7-dibenzothiophen-4-yl-9,9-dimethyl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-(4-triphenylen-2-ylphenyl)fluoren-2-amine
CID 159505056
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 135277767
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-11,11-dimethyl-6-phenylbenzo[a]fluoren-8-amine
CID 170372796
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-2-ylphenyl)-3-(6-phenyldibenzothiophen-4-yl)triphenylen-2-amine
CID 177294788

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine?
The IUPAC name of 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine (CID 166659194) is 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine.
What is the SMILES notation for 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine?
The canonical SMILES for 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)sc3c5ccccc5c(N(c5ccccc5)c5ccc(-c6cccc(-c7ccc8cc9c(cc8c7)-c7ccc(N(c8ccc%10c(c8)sc8cc(N(c%11ccc%12c(c%11)C(C)(C)c%11cc%13ccccc%13cc%11-%12)c%11cccc%12c%11C(C)(C)c%11ccccc%11-%12)ccc8%10)c8cccc%10c8C(C)(C)c8ccccc8-%10)cc7C9(C)C)c6)c6ccccc56)cc43)ccc21.
What is the InChIKey of 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine?
The InChIKey is ZPFTZEXKXWOGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C148H110N4S2/c1-143(2)124-50-27-25-43-107(124)121-79-95(63-71-127(121)143)149(96-57-64-108-104-40-22-26-49-123(104)144(3,4)130(108)80-96)99-60-69-115-122-86-136(112-45-20-21-46-118(112)142(122)154-139(115)83-99)152(94-37-14-13-15-38-94)133-72-70-102(103-39-18-19-44-111(103)133)92-36-30-35-87(73-92)90-55-56-91-78-129-120(76-93(91)74-90)110-66-59-98(82-132(110)146(129,7)8)151(135-54-32-48-117-106-42-24-29-52-126(106)148(11,12)141(117)135)101-62-68-114-113-67-61-100(84-137(113)153-138(114)85-101)150(134-53-31-47-116-105-41-23-28-51-125(105)147(9,10)140(116)134)97-58-65-109-119-75-88-33-16-17-34-89(88)77-128(119)145(5,6)131(109)81-97/h13-86H,1-12H3.
What are the key properties of 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine?
5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine has a molecular weight of 2008.67 g/mol, XLogP of 42.09, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[3-[2-[[7-[(11,11-dimethylbenzo[b]fluoren-2-yl)-(9,9-dimethylfluoren-1-yl)amino]dibenzothiophen-3-yl]-(9,9-dimethylfluoren-1-yl)amino]-11,11-dimethylbenzo[b]fluoren-7-yl]phenyl]naphthalen-1-yl]-9-N-(9,9-dimethylfluoren-2-yl)-9-N-(9,9-dimethylfluoren-3-yl)-5-N-phenylnaphtho[1,2-b][1]benzothiole-5,9-diamine is sourced from PubChem (CID 166659194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).