5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine

C140H108N4O2 — CID 167178382

IUPAC5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine
SMILESCc1cccc(N(c2ccc3c(c2)C2(c4cc(N(c5cccc(C)c5)c5cccc6oc7c(CC(C)c8ccc(N(c9cccc(-c%10ccccc%10)c9)c9cc%10c(c%11ccccc9%11)-c9ccc(N(c%11ccc(C(C)C)cc%11)c%11cccc(-c%12ccccc%12)c%11)cc9C%109c%10ccccc%10C(C)(C)c%10ccccc%109)cc8)cccc7c56)ccc4-3)c3ccccc3C(C)(C)c3ccccc32)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C140H108N4O2/c1-88(2)92-65-69-99(70-66-92)141(103-46-30-41-96(82-103)94-37-12-10-13-38-94)105-75-78-112-125(84-105)140(121-58-25-21-54-117(121)138(8,9)118-55-22-26-59-122(118)140)126-87-129(110-48-16-17-49-111(110)133(112)126)142(104-47-31-42-97(83-104)95-39-14-11-15-40-95)100-71-67-93(68-72-100)91(5)81-98-43-32-51-114-135-128(61-34-64-132(135)146-136(98)114)144(102-45-29-36-90(4)80-102)107-74-77-109-108-76-73-106(143(101-44-28-35-89(3)79-101)127-60-33-63-131-134(127)113-50-18-27-62-130(113)145-131)85-123(108)139(124(109)86-107)119-56-23-19-52-115(119)137(6,7)116-53-20-24-57-120(116)139/h10-80,82-88,91H,81H2,1-9H3
InChIKeyHJISLNZWMPHYRK-UHFFFAOYSA-N
MW1878.43 g/mol
LogP37.94
Rot. Bonds18

About 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine

5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine (PubChem CID 167178382) has the molecular formula C140H108N4O2 and a molecular weight of 1878.43 g/mol. Its IUPAC name is 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine.

Molecular Properties

Compound Name5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine
PubChem CID167178382
Molecular FormulaC140H108N4O2
Molecular Weight1878.43 g/mol
Exact Mass1876.85
IUPAC Name5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine
SMILESCc1cccc(N(c2ccc3c(c2)C2(c4cc(N(c5cccc(C)c5)c5cccc6oc7c(CC(C)c8ccc(N(c9cccc(-c%10ccccc%10)c9)c9cc%10c(c%11ccccc9%11)-c9ccc(N(c%11ccc(C(C)C)cc%11)c%11cccc(-c%12ccccc%12)c%11)cc9C%109c%10ccccc%10C(C)(C)c%10ccccc%109)cc8)cccc7c56)ccc4-3)c3ccccc3C(C)(C)c3ccccc32)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C140H108N4O2/c1-88(2)92-65-69-99(70-66-92)141(103-46-30-41-96(82-103)94-37-12-10-13-38-94)105-75-78-112-125(84-105)140(121-58-25-21-54-117(121)138(8,9)118-55-22-26-59-122(118)140)126-87-129(110-48-16-17-49-111(110)133(112)126)142(104-47-31-42-97(83-104)95-39-14-11-15-40-95)100-71-67-93(68-72-100)91(5)81-98-43-32-51-114-135-128(61-34-64-132(135)146-136(98)114)144(102-45-29-36-90(4)80-102)107-74-77-109-108-76-73-106(143(101-44-28-35-89(3)79-101)127-60-33-63-131-134(127)113-50-18-27-62-130(113)145-131)85-123(108)139(124(109)86-107)119-56-23-19-52-115(119)137(6,7)116-53-20-24-57-120(116)139/h10-80,82-88,91H,81H2,1-9H3
InChIKeyHJISLNZWMPHYRK-UHFFFAOYSA-N
XLogP37.94
TPSA39.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001878.43
LogP ≤ 537.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine with MolForge

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Related Compounds

5-N-dibenzofuran-1-yl-7,7-dimethyl-9-N-(3-methylphenyl)-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 90128722
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
5-N,9-N-bis(3-methylphenyl)-5-N,9-N-bis(naphtho[2,1-b][1]benzofuran-8-yl)-7,7-diphenylbenzo[c]fluorene-5,9-diamine
CID 126550480
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
N-(4-propan-2-ylphenyl)-N-spiro[pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-21,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine
CID 130462457
9-N',17-N'-bis(4-ethylphenyl)-9-N'-phenyl-17-N'-[3-[4-(4-propan-2-yl-N-[17'-(N-(4-propan-2-ylphenyl)anilino)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9'-yl]anilino)phenyl]phenyl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 174251318
9-N',17-N'-di(dibenzofuran-4-yl)-9-N',17-N'-bis(4-propan-2-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-9',17'-diamine
CID 137492809
N-[3-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)-5-phenylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167118083
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359
5-N,9-N-bis(4-tert-butylphenyl)-5-N,9-N-bis(3-methylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 167178435
N-dibenzofuran-1-yl-11-phenyl-N-(18,18,21,21-tetramethyl-9-oxaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22(27),23,25-dodecaen-24-yl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene-14,9'-fluorene]-17-amine
CID 164801103

Frequently Asked Questions

What is the IUPAC name of 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine?
The IUPAC name of 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine (CID 167178382) is 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine.
What is the SMILES notation for 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine?
The canonical SMILES for 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine is Cc1cccc(N(c2ccc3c(c2)C2(c4cc(N(c5cccc(C)c5)c5cccc6oc7c(CC(C)c8ccc(N(c9cccc(-c%10ccccc%10)c9)c9cc%10c(c%11ccccc9%11)-c9ccc(N(c%11ccc(C(C)C)cc%11)c%11cccc(-c%12ccccc%12)c%11)cc9C%109c%10ccccc%10C(C)(C)c%10ccccc%109)cc8)cccc7c56)ccc4-3)c3ccccc3C(C)(C)c3ccccc32)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine?
The InChIKey is HJISLNZWMPHYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C140H108N4O2/c1-88(2)92-65-69-99(70-66-92)141(103-46-30-41-96(82-103)94-37-12-10-13-38-94)105-75-78-112-125(84-105)140(121-58-25-21-54-117(121)138(8,9)118-55-22-26-59-122(118)140)126-87-129(110-48-16-17-49-111(110)133(112)126)142(104-47-31-42-97(83-104)95-39-14-11-15-40-95)100-71-67-93(68-72-100)91(5)81-98-43-32-51-114-135-128(61-34-64-132(135)146-136(98)114)144(102-45-29-36-90(4)80-102)107-74-77-109-108-76-73-106(143(101-44-28-35-89(3)79-101)127-60-33-63-131-134(127)113-50-18-27-62-130(113)145-131)85-123(108)139(124(109)86-107)119-56-23-19-52-115(119)137(6,7)116-53-20-24-57-120(116)139/h10-80,82-88,91H,81H2,1-9H3.
What are the key properties of 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine?
5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine has a molecular weight of 1878.43 g/mol, XLogP of 37.94, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N'-[4-[1-[9-(N-[7'-(N-dibenzofuran-1-yl-3-methylanilino)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl]-3-methylanilino)dibenzofuran-4-yl]propan-2-yl]phenyl]-9,9-dimethyl-5-N',9-N'-bis(3-phenylphenyl)-9-N'-(4-propan-2-ylphenyl)spiro[anthracene-10,7'-benzo[c]fluorene]-5',9'-diamine is sourced from PubChem (CID 167178382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).