9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine

C117H84N6 — CID 101256601

IUPAC9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4)ccc2C3c2cc(C3c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc(C3c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C117H84N6/c1-13-37-85(38-14-1)118(86-39-15-2-16-40-86)97-61-67-103-109(76-97)110-77-98(119(87-41-17-3-18-42-87)88-43-19-4-20-44-88)62-68-104(110)115(103)82-73-83(116-105-69-63-99(120(89-45-21-5-22-46-89)90-47-23-6-24-48-90)78-111(105)112-79-100(64-70-106(112)116)121(91-49-25-7-26-50-91)92-51-27-8-28-52-92)75-84(74-82)117-107-71-65-101(122(93-53-29-9-30-54-93)94-55-31-10-32-56-94)80-113(107)114-81-102(66-72-108(114)117)123(95-57-33-11-34-58-95)96-59-35-12-36-60-96/h1-81,115-117H
InChIKeyOKQWRYLJVANAPV-UHFFFAOYSA-N
MW1574.00 g/mol
LogP31.99
Rot. Bonds21

About 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine

9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine (PubChem CID 101256601) has the molecular formula C117H84N6 and a molecular weight of 1574.00 g/mol. Its IUPAC name is 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine.

Molecular Properties

Compound Name9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine
PubChem CID101256601
Molecular FormulaC117H84N6
Molecular Weight1574.00 g/mol
Exact Mass1572.68
IUPAC Name9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4)ccc2C3c2cc(C3c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc(C3c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C117H84N6/c1-13-37-85(38-14-1)118(86-39-15-2-16-40-86)97-61-67-103-109(76-97)110-77-98(119(87-41-17-3-18-42-87)88-43-19-4-20-44-88)62-68-104(110)115(103)82-73-83(116-105-69-63-99(120(89-45-21-5-22-46-89)90-47-23-6-24-48-90)78-111(105)112-79-100(64-70-106(112)116)121(91-49-25-7-26-50-91)92-51-27-8-28-52-92)75-84(74-82)117-107-71-65-101(122(93-53-29-9-30-54-93)94-55-31-10-32-56-94)80-113(107)114-81-102(66-72-108(114)117)123(95-57-33-11-34-58-95)96-59-35-12-36-60-96/h1-81,115-117H
InChIKeyOKQWRYLJVANAPV-UHFFFAOYSA-N
XLogP31.99
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001574.00
LogP ≤ 531.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine with MolForge

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Related Compounds

N,9-diphenyl-N-[3-[2-[3-(N-(9-phenyl-9H-fluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9H-fluoren-2-amine
CID 129061482
3-N,3-N,6-N,6-N-tetraethyl-9-phenyl-9H-fluorene-3,6-diamine;hydrobromide
CID 173333229
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine
CID 129265016
3-N-[3-(N-[3-(N-[3-(N-[3,5-bis(N-phenylanilino)phenyl]anilino)phenyl]anilino)-5-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N,3-N,5-N,5-N-pentakis-phenylbenzene-1,3,5-triamine
CID 155054486
N,4-diphenyl-N-[4-[4-(6,8,9-triphenyl-9H-fluoren-3-yl)phenyl]phenyl]aniline
CID 129256095
1-N,1-N,4-N-triphenyl-4-N-[3-[3-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 131863770
9-(2,3,4,5,6-pentadeuteriophenyl)-N,N-diphenyl-9-(9-phenyl-9H-fluoren-3-yl)fluoren-3-amine
CID 156687312
N,N,3-triphenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 18780381
6-N,12-N-bis[3-(9H-fluoren-9-yl)phenyl]-6-N,12-N-bis[4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine
CID 58421134
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine?
The IUPAC name of 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine (CID 101256601) is 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine.
What is the SMILES notation for 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine?
The canonical SMILES for 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine is c1ccc(N(c2ccccc2)c2ccc3c(c2)-c2cc(N(c4ccccc4)c4ccccc4)ccc2C3c2cc(C3c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc(C3c4ccc(N(c5ccccc5)c5ccccc5)cc4-c4cc(N(c5ccccc5)c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine?
The InChIKey is OKQWRYLJVANAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H84N6/c1-13-37-85(38-14-1)118(86-39-15-2-16-40-86)97-61-67-103-109(76-97)110-77-98(119(87-41-17-3-18-42-87)88-43-19-4-20-44-88)62-68-104(110)115(103)82-73-83(116-105-69-63-99(120(89-45-21-5-22-46-89)90-47-23-6-24-48-90)78-111(105)112-79-100(64-70-106(112)116)121(91-49-25-7-26-50-91)92-51-27-8-28-52-92)75-84(74-82)117-107-71-65-101(122(93-53-29-9-30-54-93)94-55-31-10-32-56-94)80-113(107)114-81-102(66-72-108(114)117)123(95-57-33-11-34-58-95)96-59-35-12-36-60-96/h1-81,115-117H.
What are the key properties of 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine?
9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine has a molecular weight of 1574.00 g/mol, XLogP of 31.99, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-bis[3,6-bis(N-phenylanilino)-9H-fluoren-9-yl]phenyl]-3-N,3-N,6-N,6-N-tetraphenyl-9H-fluorene-3,6-diamine is sourced from PubChem (CID 101256601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).