7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine

C57H42N2 — CID 137385657

IUPAC7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C57H42N2/c1-57(2)53-24-13-12-23-49(53)51-37-52-50-34-33-48(36-55(50)59(56(52)38-54(51)57)46-31-27-43(28-32-46)40-17-8-4-9-18-40)58(45-29-25-42(26-30-45)39-15-6-3-7-16-39)47-22-14-21-44(35-47)41-19-10-5-11-20-41/h3-38H,1-2H3
InChIKeyYIWSEMUEHPTMFB-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.56
Rot. Bonds7

About 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine

7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine (PubChem CID 137385657) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
PubChem CID137385657
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC Name7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc4n(-c4ccc(-c5ccccc5)cc4)c3cc21
InChIInChI=1S/C57H42N2/c1-57(2)53-24-13-12-23-49(53)51-37-52-50-34-33-48(36-55(50)59(56(52)38-54(51)57)46-31-27-43(28-32-46)40-17-8-4-9-18-40)58(45-29-25-42(26-30-45)39-15-6-3-7-16-39)47-22-14-21-44(35-47)41-19-10-5-11-20-41/h3-38H,1-2H3
InChIKeyYIWSEMUEHPTMFB-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385651
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
16,16-dimethyl-N-(3-phenylphenyl)-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 155791302
7,7-dimethyl-5-naphthalen-2-yl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385663
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
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-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
N-[4-(28,28-dimethyl-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaen-32-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 122527931
3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 159654715
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
The IUPAC name of 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine (CID 137385657) is 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine.
What is the SMILES notation for 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
The canonical SMILES for 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine is CC1(C)c2ccccc2-c2cc3c4ccc(N(c5ccc(-c6ccccc6)cc5)c5cccc(-c6ccccc6)c5)cc4n(-c4ccc(-c5ccccc5)cc4)c3cc21.
What is the InChIKey of 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
The InChIKey is YIWSEMUEHPTMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)53-24-13-12-23-49(53)51-37-52-50-34-33-48(36-55(50)59(56(52)38-54(51)57)46-31-27-43(28-32-46)40-17-8-4-9-18-40)58(45-29-25-42(26-30-45)39-15-6-3-7-16-39)47-22-14-21-44(35-47)41-19-10-5-11-20-41/h3-38H,1-2H3.
What are the key properties of 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine?
7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine has a molecular weight of 754.98 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine is sourced from PubChem (CID 137385657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).