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

C63H43N3 — CID 118489585

IUPACN-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)c3cc5c(ccn5-c5ccccc5)cc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C63H43N3/c1-6-18-44(19-7-1)45-30-32-51(33-31-45)65(53-34-36-55-54-28-16-17-29-58(54)63(59(55)42-53,47-20-8-2-9-21-47)48-22-10-3-11-23-48)52-35-37-60-56(41-52)57-43-61-46(38-39-64(61)49-24-12-4-13-25-49)40-62(57)66(60)50-26-14-5-15-27-50/h1-43H
InChIKeyUJALDHVAUPFHQU-UHFFFAOYSA-N
MW842.06 g/mol
LogP16.23
Rot. Bonds8

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

N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine (PubChem CID 118489585) has the molecular formula C63H43N3 and a molecular weight of 842.06 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine
PubChem CID118489585
Molecular FormulaC63H43N3
Molecular Weight842.06 g/mol
Exact Mass841.35
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)c3cc5c(ccn5-c5ccccc5)cc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C63H43N3/c1-6-18-44(19-7-1)45-30-32-51(33-31-45)65(53-34-36-55-54-28-16-17-29-58(54)63(59(55)42-53,47-20-8-2-9-21-47)48-22-10-3-11-23-48)52-35-37-60-56(41-52)57-43-61-46(38-39-64(61)49-24-12-4-13-25-49)40-62(57)66(60)50-26-14-5-15-27-50/h1-43H
InChIKeyUJALDHVAUPFHQU-UHFFFAOYSA-N
XLogP16.23
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.06
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
CID 90061050
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
9,9-diphenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 167214675
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
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
9-phenyl-7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334078
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N,9-diphenyl-9-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 122593307
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine (CID 118489585) is N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c(c3)c3cc5c(ccn5-c5ccccc5)cc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine?
The InChIKey is UJALDHVAUPFHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3/c1-6-18-44(19-7-1)45-30-32-51(33-31-45)65(53-34-36-55-54-28-16-17-29-58(54)63(59(55)42-53,47-20-8-2-9-21-47)48-22-10-3-11-23-48)52-35-37-60-56(41-52)57-43-61-46(38-39-64(61)49-24-12-4-13-25-49)40-62(57)66(60)50-26-14-5-15-27-50/h1-43H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine?
N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine has a molecular weight of 842.06 g/mol, XLogP of 16.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine is sourced from PubChem (CID 118489585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).