N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine

C69H50N4 — CID 134164505

IUPACN-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C69H50N4/c1-69(2)63-27-15-12-24-57(63)62-44-54(40-43-64(62)69)71(56-39-42-61-59-26-14-17-29-66(59)73(68(61)46-56)51-22-10-5-11-23-51)53-36-32-48(33-37-53)47-30-34-52(35-31-47)70(49-18-6-3-7-19-49)55-38-41-60-58-25-13-16-28-65(58)72(67(60)45-55)50-20-8-4-9-21-50/h3-46H,1-2H3
InChIKeyPPXWBRYIHVELQD-UHFFFAOYSA-N
MW935.19 g/mol
LogP18.79
Rot. Bonds9

About N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine

N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine (PubChem CID 134164505) has the molecular formula C69H50N4 and a molecular weight of 935.19 g/mol. Its IUPAC name is N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
PubChem CID134164505
Molecular FormulaC69H50N4
Molecular Weight935.19 g/mol
Exact Mass934.40
IUPAC NameN-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21
InChIInChI=1S/C69H50N4/c1-69(2)63-27-15-12-24-57(63)62-44-54(40-43-64(62)69)71(56-39-42-61-59-26-14-17-29-66(59)73(68(61)46-56)51-22-10-5-11-23-51)53-36-32-48(33-37-53)47-30-34-52(35-31-47)70(49-18-6-3-7-19-49)55-38-41-60-58-25-13-16-28-65(58)72(67(60)45-55)50-20-8-4-9-21-50/h3-46H,1-2H3
InChIKeyPPXWBRYIHVELQD-UHFFFAOYSA-N
XLogP18.79
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.19
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-2-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 159513219
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385651
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
1-N-(9,9-dimethylfluoren-3-yl)-1-N,4-N-bis(4-methylphenyl)-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 71249275
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
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
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]phenyl]phenyl]-N-phenyl-4-(4-phenylphenyl)aniline;N-[4-[3-[9-(9,9-dimethylfluoren-3-yl)-7-phenylcarbazol-3-yl]phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 159079449

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine (CID 134164505) is N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)cc3)c3ccc4c5ccccc5n(-c5ccccc5)c4c3)ccc21.
What is the InChIKey of N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?
The InChIKey is PPXWBRYIHVELQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N4/c1-69(2)63-27-15-12-24-57(63)62-44-54(40-43-64(62)69)71(56-39-42-61-59-26-14-17-29-66(59)73(68(61)46-56)51-22-10-5-11-23-51)53-36-32-48(33-37-53)47-30-34-52(35-31-47)70(49-18-6-3-7-19-49)55-38-41-60-58-25-13-16-28-65(58)72(67(60)45-55)50-20-8-4-9-21-50/h3-46H,1-2H3.
What are the key properties of N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine?
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine has a molecular weight of 935.19 g/mol, XLogP of 18.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 134164505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).