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

C52H38N4 — CID 90060847

IUPACN-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccn4)cc3)c3ccc4c(c3)c3cc5ccn(-c6ccccc6)c5cc3n4-c3ccccc3)cc21
InChIInChI=1S/C52H38N4/c1-52(2)46-18-10-9-17-42(46)43-26-24-41(33-47(43)52)55(39-22-20-35(21-23-39)48-19-11-12-29-53-48)40-25-27-49-45(32-40)44-31-36-28-30-54(37-13-5-3-6-14-37)50(36)34-51(44)56(49)38-15-7-4-8-16-38/h3-34H,1-2H3
InChIKeyYOJMORITZBFBSF-UHFFFAOYSA-N
MW718.90 g/mol
LogP13.57
Rot. Bonds6

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

N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine (PubChem CID 90060847) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
PubChem CID90060847
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccn4)cc3)c3ccc4c(c3)c3cc5ccn(-c6ccccc6)c5cc3n4-c3ccccc3)cc21
InChIInChI=1S/C52H38N4/c1-52(2)46-18-10-9-17-42(46)43-26-24-41(33-47(43)52)55(39-22-20-35(21-23-39)48-19-11-12-29-53-48)40-25-27-49-45(32-40)44-31-36-28-30-54(37-13-5-3-6-14-37)50(36)34-51(44)56(49)38-15-7-4-8-16-38/h3-34H,1-2H3
InChIKeyYOJMORITZBFBSF-UHFFFAOYSA-N
XLogP13.57
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
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
9,9-dimethyl-N-[4-(1-methylpyrrol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine;N-(4-indol-1-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 158904287
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-(9,9-diphenylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-3-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine
CID 90061050
CID 158505950
CID 158505950
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
N-(9,9-diphenylfluoren-2-yl)-3,9-diphenyl-N-(4-phenylphenyl)pyrrolo[3,2-b]carbazol-6-amine
CID 118489585
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]quinolin-6-amine
CID 129201041
22,22-dimethyl-N,N-diphenyl-10-(4-phenylphenyl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine
CID 118668017
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine (CID 90060847) is N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccn4)cc3)c3ccc4c(c3)c3cc5ccn(-c6ccccc6)c5cc3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine?
The InChIKey is YOJMORITZBFBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4/c1-52(2)46-18-10-9-17-42(46)43-26-24-41(33-47(43)52)55(39-22-20-35(21-23-39)48-19-11-12-29-53-48)40-25-27-49-45(32-40)44-31-36-28-30-54(37-13-5-3-6-14-37)50(36)34-51(44)56(49)38-15-7-4-8-16-38/h3-34H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine?
N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine has a molecular weight of 718.90 g/mol, XLogP of 13.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-1,9-diphenyl-N-(4-pyridin-2-ylphenyl)pyrrolo[2,3-b]carbazol-6-amine is sourced from PubChem (CID 90060847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).