4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine

C45H33ClN2 — CID 154965980

IUPAC4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(Cl)c4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)cc21
InChIInChI=1S/C45H33ClN2/c1-45(2)39-22-11-9-20-36(39)37-25-24-34(27-40(37)45)47(32-17-7-4-8-18-32)35-28-41(46)44-38-21-10-12-23-42(38)48(43(44)29-35)33-19-13-16-31(26-33)30-14-5-3-6-15-30/h3-29H,1-2H3
InChIKeyDTFJLALMOPBBDS-UHFFFAOYSA-N
MW637.23 g/mol
LogP12.88
Rot. Bonds5

About 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine

4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine (PubChem CID 154965980) has the molecular formula C45H33ClN2 and a molecular weight of 637.23 g/mol. Its IUPAC name is 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine
PubChem CID154965980
Molecular FormulaC45H33ClN2
Molecular Weight637.23 g/mol
Exact Mass636.23
IUPAC Name4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(Cl)c4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)cc21
InChIInChI=1S/C45H33ClN2/c1-45(2)39-22-11-9-20-36(39)37-25-24-34(27-40(37)45)47(32-17-7-4-8-18-32)35-28-41(46)44-38-21-10-12-23-42(38)48(43(44)29-35)33-19-13-16-31(26-33)30-14-5-3-6-15-30/h3-29H,1-2H3
InChIKeyDTFJLALMOPBBDS-UHFFFAOYSA-N
XLogP12.88
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.23
LogP ≤ 512.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
2-N-(9,9-dimethylfluoren-2-yl)-2-N,4-N,4-N,9-tetraphenylcarbazole-2,4-diamine
CID 154965664
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
2-N-(9,9-dimethylfluoren-2-yl)-4-N-(9,9-dimethylfluoren-3-yl)-2-N,4-N-diphenyl-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 139496524
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-4-yl]-N,N-bis(4-phenylphenyl)aniline
CID 166660351
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine?
The IUPAC name of 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine (CID 154965980) is 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc(Cl)c4c5ccccc5n(-c5cccc(-c6ccccc6)c5)c4c3)cc21.
What is the InChIKey of 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine?
The InChIKey is DTFJLALMOPBBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33ClN2/c1-45(2)39-22-11-9-20-36(39)37-25-24-34(27-40(37)45)47(32-17-7-4-8-18-32)35-28-41(46)44-38-21-10-12-23-42(38)48(43(44)29-35)33-19-13-16-31(26-33)30-14-5-3-6-15-30/h3-29H,1-2H3.
What are the key properties of 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine?
4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine has a molecular weight of 637.23 g/mol, XLogP of 12.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9-(3-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 154965980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).