2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine

C176H118N6S4 — CID 158220522

IUPAC2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(-c7ccccc7)c(-c7ccccc7)sc6c5)ccc3-4)c3ccc4c(-c5ccccc5)c(-c5ccccc5)sc4c3)cc2)cc1.c1ccc(-c2sc3cc(N(c4ccc(-c5ccncc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(N(c6ccc(-c7ccncc7)cc6)c6ccc7c(-c8ccccc8)c(-c8ccccc8)sc7c6)ccc4-5)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C89H60N2S2.C87H58N4S2/c1-9-25-61(26-10-1)63-41-45-71(46-42-63)90(75-51-55-79-83(59-75)92-87(67-33-17-5-18-34-67)85(79)65-29-13-3-14-30-65)73-49-53-77-78-54-50-74(58-82(78)89(81(77)57-73,69-37-21-7-22-38-69)70-39-23-8-24-40-70)91(72-47-43-64(44-48-72)62-27-11-2-12-28-62)76-52-56-80-84(60-76)93-88(68-35-19-6-20-36-68)86(80)66-31-15-4-16-32-66;1-7-19-63(20-8-1)83-77-45-41-73(57-81(77)92-85(83)65-23-11-3-12-24-65)90(69-35-31-59(32-36-69)61-47-51-88-52-48-61)71-39-43-75-76-44-40-72(56-80(76)87(79(75)55-71,67-27-15-5-16-28-67)68-29-17-6-18-30-68)91(70-37-33-60(34-38-70)62-49-53-89-54-50-62)74-42-46-78-82(58-74)93-86(66-25-13-4-14-26-66)84(78)64-21-9-2-10-22-64/h1-60H;1-58H
InChIKeyGDELRDOIZZNEMO-UHFFFAOYSA-N
MW2445.19 g/mol
LogP49.63
Rot. Bonds28

About 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine

2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine (PubChem CID 158220522) has the molecular formula C176H118N6S4 and a molecular weight of 2445.19 g/mol. Its IUPAC name is 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine.

Molecular Properties

Compound Name2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine
PubChem CID158220522
Molecular FormulaC176H118N6S4
Molecular Weight2445.19 g/mol
Exact Mass2442.83
IUPAC Name2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(-c7ccccc7)c(-c7ccccc7)sc6c5)ccc3-4)c3ccc4c(-c5ccccc5)c(-c5ccccc5)sc4c3)cc2)cc1.c1ccc(-c2sc3cc(N(c4ccc(-c5ccncc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(N(c6ccc(-c7ccncc7)cc6)c6ccc7c(-c8ccccc8)c(-c8ccccc8)sc7c6)ccc4-5)ccc3c2-c2ccccc2)cc1
InChIInChI=1S/C89H60N2S2.C87H58N4S2/c1-9-25-61(26-10-1)63-41-45-71(46-42-63)90(75-51-55-79-83(59-75)92-87(67-33-17-5-18-34-67)85(79)65-29-13-3-14-30-65)73-49-53-77-78-54-50-74(58-82(78)89(81(77)57-73,69-37-21-7-22-38-69)70-39-23-8-24-40-70)91(72-47-43-64(44-48-72)62-27-11-2-12-28-62)76-52-56-80-84(60-76)93-88(68-35-19-6-20-36-68)86(80)66-31-15-4-16-32-66;1-7-19-63(20-8-1)83-77-45-41-73(57-81(77)92-85(83)65-23-11-3-12-24-65)90(69-35-31-59(32-36-69)61-47-51-88-52-48-61)71-39-43-75-76-44-40-72(56-80(76)87(79(75)55-71,67-27-15-5-16-28-67)68-29-17-6-18-30-68)91(70-37-33-60(34-38-70)62-49-53-89-54-50-62)74-42-46-78-82(58-74)93-86(66-25-13-4-14-26-66)84(78)64-21-9-2-10-22-64/h1-60H;1-58H
InChIKeyGDELRDOIZZNEMO-UHFFFAOYSA-N
XLogP49.63
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds28
Heavy Atoms186
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002445.19
LogP ≤ 549.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine with MolForge

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Related Compounds

N-[4-[10-[4-(N-(2,3-diphenyl-1-benzothiophen-6-yl)-3-phenylanilino)phenyl]anthracen-9-yl]phenyl]-2,3-diphenyl-N-(3-phenylphenyl)-1-benzothiophen-6-amine;N-[4-[10-[4-(N-(2,3-diphenyl-1-benzothiophen-6-yl)-4-phenylanilino)phenyl]anthracen-9-yl]phenyl]-2,3-diphenyl-N-(4-phenylphenyl)-1-benzothiophen-6-amine;N-[4-[10-[4-(N-(2,3-diphenyl-1-benzothiophen-6-yl)-4-pyridin-4-ylanilino)phenyl]anthracen-9-yl]phenyl]-2,3-diphenyl-N-(4-pyridin-4-ylphenyl)-1-benzothiophen-6-amine
CID 158839674
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine
CID 122470062
2-N,7-N-bis(4-methylphenyl)-9-phenyl-2-N,7-N,9-tris(4-phenylphenyl)fluorene-2,7-diamine
CID 58795183
9,9-diphenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 169280776
7-[7-[9,9-diphenyl-7-(N-phenylanilino)fluoren-2-yl]-9,9-diphenylfluoren-2-yl]-N,N,9,9-tetraphenylfluoren-2-amine
CID 101429725
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
N-[4-(10,10-dimethylindeno[1,2-b][1]benzothiol-2-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 156550262
2-N,2-N,7-N,7-N-tetrakis[4-(3,4-dimethoxy-5-methylthiophen-2-yl)phenyl]-9,9-diphenylfluorene-2,7-diamine
CID 90058084
9-(4-methylphenyl)-9-phenyl-N-(3-phenylphenyl)-N,7-bis(4-phenylphenyl)fluoren-2-amine
CID 90277842

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine?
The IUPAC name of 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine (CID 158220522) is 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine.
What is the SMILES notation for 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine?
The canonical SMILES for 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(-c7ccccc7)c(-c7ccccc7)sc6c5)ccc3-4)c3ccc4c(-c5ccccc5)c(-c5ccccc5)sc4c3)cc2)cc1.c1ccc(-c2sc3cc(N(c4ccc(-c5ccncc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4cc(N(c6ccc(-c7ccncc7)cc6)c6ccc7c(-c8ccccc8)c(-c8ccccc8)sc7c6)ccc4-5)ccc3c2-c2ccccc2)cc1.
What is the InChIKey of 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine?
The InChIKey is GDELRDOIZZNEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H60N2S2.C87H58N4S2/c1-9-25-61(26-10-1)63-41-45-71(46-42-63)90(75-51-55-79-83(59-75)92-87(67-33-17-5-18-34-67)85(79)65-29-13-3-14-30-65)73-49-53-77-78-54-50-74(58-82(78)89(81(77)57-73,69-37-21-7-22-38-69)70-39-23-8-24-40-70)91(72-47-43-64(44-48-72)62-27-11-2-12-28-62)76-52-56-80-84(60-76)93-88(68-35-19-6-20-36-68)86(80)66-31-15-4-16-32-66;1-7-19-63(20-8-1)83-77-45-41-73(57-81(77)92-85(83)65-23-11-3-12-24-65)90(69-35-31-59(32-36-69)61-47-51-88-52-48-61)71-39-43-75-76-44-40-72(56-80(76)87(79(75)55-71,67-27-15-5-16-28-67)68-29-17-6-18-30-68)91(70-37-33-60(34-38-70)62-49-53-89-54-50-62)74-42-46-78-82(58-74)93-86(66-25-13-4-14-26-66)84(78)64-21-9-2-10-22-64/h1-60H;1-58H.
What are the key properties of 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine?
2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine has a molecular weight of 2445.19 g/mol, XLogP of 49.63, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N,7-N-bis(2,3-diphenyl-1-benzothiophen-6-yl)-9,9-diphenyl-2-N,7-N-bis(4-pyridin-4-ylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 158220522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).