N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine

C83H64N2 — CID 155762893

IUPACN-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C83H64N2/c1-3-17-57(18-4-1)65-39-47-69(62-23-5-2-6-24-62)82(53-65)84(68-46-48-73-72-27-13-16-30-78(72)83(79(73)54-68)76-28-14-11-25-70(76)71-26-12-15-29-77(71)83)66-42-35-60(36-43-66)58-31-33-59(34-32-58)61-37-44-67(45-38-61)85-80-49-40-63(55-19-7-8-20-55)51-74(80)75-52-64(41-50-81(75)85)56-21-9-10-22-56/h1-6,11-18,23-56H,7-10,19-22H2
InChIKeyXYDUXQVITWCXLC-UHFFFAOYSA-N
MW1089.44 g/mol
LogP22.58
Rot. Bonds10

About N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine

N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 155762893) has the molecular formula C83H64N2 and a molecular weight of 1089.44 g/mol. Its IUPAC name is N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID155762893
Molecular FormulaC83H64N2
Molecular Weight1089.44 g/mol
Exact Mass1088.51
IUPAC NameN-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1
InChIInChI=1S/C83H64N2/c1-3-17-57(18-4-1)65-39-47-69(62-23-5-2-6-24-62)82(53-65)84(68-46-48-73-72-27-13-16-30-78(72)83(79(73)54-68)76-28-14-11-25-70(76)71-26-12-15-29-77(71)83)66-42-35-60(36-43-66)58-31-33-59(34-32-58)61-37-44-67(45-38-61)85-80-49-40-63(55-19-7-8-20-55)51-74(80)75-52-64(41-50-81(75)85)56-21-9-10-22-56/h1-6,11-18,23-56H,7-10,19-22H2
InChIKeyXYDUXQVITWCXLC-UHFFFAOYSA-N
XLogP22.58
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001089.44
LogP ≤ 522.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159790785
N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 159778200
N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 155472225
N-[4-[4-[4-(3-cyclohexyl-6-hexylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,4-diphenylphenyl)-9,9-dimethylfluoren-2-amine
CID 155472223
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
CID 145464353
N-[4-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 155472228
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 170112713
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
7-cyclohexyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-amine;7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 165095817
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519532

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine (CID 155762893) is N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine is c1ccc(-c2ccc(-c3ccccc3)c(N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)c2)cc1.
What is the InChIKey of N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is XYDUXQVITWCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H64N2/c1-3-17-57(18-4-1)65-39-47-69(62-23-5-2-6-24-62)82(53-65)84(68-46-48-73-72-27-13-16-30-78(72)83(79(73)54-68)76-28-14-11-25-70(76)71-26-12-15-29-77(71)83)66-42-35-60(36-43-66)58-31-33-59(34-32-58)61-37-44-67(45-38-61)85-80-49-40-63(55-19-7-8-20-55)51-74(80)75-52-64(41-50-81(75)85)56-21-9-10-22-56/h1-6,11-18,23-56H,7-10,19-22H2.
What are the key properties of N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine?
N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 1089.44 g/mol, XLogP of 22.58, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(2,5-diphenylphenyl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 155762893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).