N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine

C62H42N4 — CID 90061050

IUPACN-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
SMILESc1ccc(-n2ccc3cc4c5cc(N(c6ccc(-c7cccnc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C62H42N4/c1-5-17-46(18-6-1)62(47-19-7-2-8-20-47)57-26-14-13-25-53(57)54-33-31-52(40-58(54)62)65(50-29-27-43(28-30-50)45-16-15-36-63-42-45)51-32-34-59-56(39-51)55-38-44-35-37-64(48-21-9-3-10-22-48)60(44)41-61(55)66(59)49-23-11-4-12-24-49/h1-42H
InChIKeyPFWGVMRARHPSBH-UHFFFAOYSA-N
MW843.05 g/mol
LogP15.62
Rot. Bonds8

About N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine

N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine (PubChem CID 90061050) has the molecular formula C62H42N4 and a molecular weight of 843.05 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
PubChem CID90061050
Molecular FormulaC62H42N4
Molecular Weight843.05 g/mol
Exact Mass842.34
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
SMILESc1ccc(-n2ccc3cc4c5cc(N(c6ccc(-c7cccnc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc5n(-c5ccccc5)c4cc32)cc1
InChIInChI=1S/C62H42N4/c1-5-17-46(18-6-1)62(47-19-7-2-8-20-47)57-26-14-13-25-53(57)54-33-31-52(40-58(54)62)65(50-29-27-43(28-30-50)45-16-15-36-63-42-45)51-32-34-59-56(39-51)55-38-44-35-37-64(48-21-9-3-10-22-48)60(44)41-61(55)66(59)49-23-11-4-12-24-49/h1-42H
InChIKeyPFWGVMRARHPSBH-UHFFFAOYSA-N
XLogP15.62
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.05
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine
CID 118489585
3,9-diphenyl-N,N-bis(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 160761168
N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-4-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 160663062
N-[4-(3,6-diphenylpyrrolo[2,3-c]carbazol-9-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90060969
N,9,9-triphenyl-N-[4-(5-phenylbenzo[b]carbazol-2-yl)phenyl]fluoren-2-amine
CID 139573020
N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-dimethyl-N-[4-(1,3,5-triazin-2-yl)phenyl]fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(3,9-diphenylpyrrolo[3,2-b]carbazol-6-yl)phenyl]-9,9-diphenyl-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 162213151
N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
CID 90060847
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
9-phenyl-7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334078
N-[4-[5-(4-methyl-3-pyridinyl)-11-phenylindolo[3,2-b]carbazol-2-yl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90195094
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
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine (CID 90061050) is N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine is c1ccc(-n2ccc3cc4c5cc(N(c6ccc(-c7cccnc7)cc6)c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)ccc5n(-c5ccccc5)c4cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine?
The InChIKey is PFWGVMRARHPSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H42N4/c1-5-17-46(18-6-1)62(47-19-7-2-8-20-47)57-26-14-13-25-53(57)54-33-31-52(40-58(54)62)65(50-29-27-43(28-30-50)45-16-15-36-63-42-45)51-32-34-59-56(39-51)55-38-44-35-37-64(48-21-9-3-10-22-48)60(44)41-61(55)66(59)49-23-11-4-12-24-49/h1-42H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine?
N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine has a molecular weight of 843.05 g/mol, XLogP of 15.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine is sourced from PubChem (CID 90061050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).