11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine

C63H46N4 — CID 90051042

IUPAC11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cc3c(cc21)c1cc(N(c2ccccc2)c2ccccc2)ccc1n3-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C63H46N4/c1-63(2)57-36-33-48(64(43-20-8-3-9-21-43)44-22-10-4-11-23-44)38-53(57)54-42-62-56(41-58(54)63)55-39-49(65(45-24-12-5-13-25-45)46-26-14-6-15-27-46)34-37-60(55)67(62)50-32-35-52-51-30-18-19-31-59(51)66(61(52)40-50)47-28-16-7-17-29-47/h3-42H,1-2H3
InChIKeyWPKDOGUHMOJCGB-UHFFFAOYSA-N
MW859.09 g/mol
LogP17.13
Rot. Bonds8

About 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine

11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine (PubChem CID 90051042) has the molecular formula C63H46N4 and a molecular weight of 859.09 g/mol. Its IUPAC name is 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine.

Molecular Properties

Compound Name11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine
PubChem CID90051042
Molecular FormulaC63H46N4
Molecular Weight859.09 g/mol
Exact Mass858.37
IUPAC Name11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cc3c(cc21)c1cc(N(c2ccccc2)c2ccccc2)ccc1n3-c1ccc2c3ccccc3n(-c3ccccc3)c2c1
InChIInChI=1S/C63H46N4/c1-63(2)57-36-33-48(64(43-20-8-3-9-21-43)44-22-10-4-11-23-44)38-53(57)54-42-62-56(41-58(54)63)55-39-49(65(45-24-12-5-13-25-45)46-26-14-6-15-27-46)34-37-60(55)67(62)50-32-35-52-51-30-18-19-31-59(51)66(61(52)40-50)47-28-16-7-17-29-47/h3-42H,1-2H3
InChIKeyWPKDOGUHMOJCGB-UHFFFAOYSA-N
XLogP17.13
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500859.09
LogP ≤ 517.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine
CID 90261832
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505
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
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,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
2-carbazol-9-yl-9-[7-(2-carbazol-9-ylcarbazol-9-yl)-9,9-dimethylfluoren-2-yl]carbazole;2-carbazol-9-yl-9-[4-(2-carbazol-9-yl-6-phenylcarbazol-9-yl)phenyl]-6-phenylcarbazole;9-[9,9-dimethyl-7-[2-(N-phenylanilino)carbazol-9-yl]fluoren-2-yl]-N,N-diphenylcarbazol-2-amine;9-[9-[4-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazol-2-yl]-3,6-diphenylcarbazole
CID 158084522
7-carbazol-9-yl-9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 71038403
6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;6-carbazol-9-yl-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 159916730
7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 89213155
4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 66585298
7-carbazol-9-yl-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-4-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159276490
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine?
The IUPAC name of 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine (CID 90051042) is 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine.
What is the SMILES notation for 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine?
The canonical SMILES for 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine is CC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2-c2cc3c(cc21)c1cc(N(c2ccccc2)c2ccccc2)ccc1n3-c1ccc2c3ccccc3n(-c3ccccc3)c2c1.
What is the InChIKey of 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine?
The InChIKey is WPKDOGUHMOJCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H46N4/c1-63(2)57-36-33-48(64(43-20-8-3-9-21-43)44-22-10-4-11-23-44)38-53(57)54-42-62-56(41-58(54)63)55-39-49(65(45-24-12-5-13-25-45)46-26-14-6-15-27-46)34-37-60(55)67(62)50-32-35-52-51-30-18-19-31-59(51)66(61(52)40-50)47-28-16-7-17-29-47/h3-42H,1-2H3.
What are the key properties of 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine?
11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine has a molecular weight of 859.09 g/mol, XLogP of 17.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenyl-5-(9-phenylcarbazol-2-yl)indeno[1,2-b]carbazole-2,8-diamine is sourced from PubChem (CID 90051042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).