11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine

C55H41N3 — CID 58501363

IUPAC11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)c1cc(N(c2ccccc2)c2ccccc2)ccc1n3-c1cccc2ccccc12
InChIInChI=1S/C55H41N3/c1-55(2)50-35-44(57(41-24-11-5-12-25-41)42-26-13-6-14-27-42)30-32-46(50)47-37-54-49(36-51(47)55)48-34-43(56(39-20-7-3-8-21-39)40-22-9-4-10-23-40)31-33-53(48)58(54)52-29-17-19-38-18-15-16-28-45(38)52/h3-37H,1-2H3
InChIKeyGGRRYZSYMXRKRK-UHFFFAOYSA-N
MW743.95 g/mol
LogP15.18
Rot. Bonds7

About 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine

11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine (PubChem CID 58501363) has the molecular formula C55H41N3 and a molecular weight of 743.95 g/mol. Its IUPAC name is 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine.

Molecular Properties

Compound Name11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine
PubChem CID58501363
Molecular FormulaC55H41N3
Molecular Weight743.95 g/mol
Exact Mass743.33
IUPAC Name11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)c1cc(N(c2ccccc2)c2ccccc2)ccc1n3-c1cccc2ccccc12
InChIInChI=1S/C55H41N3/c1-55(2)50-35-44(57(41-24-11-5-12-25-41)42-26-13-6-14-27-42)30-32-46(50)47-37-54-49(36-51(47)55)48-34-43(56(39-20-7-3-8-21-39)40-22-9-4-10-23-40)31-33-53(48)58(54)52-29-17-19-38-18-15-16-28-45(38)52/h3-37H,1-2H3
InChIKeyGGRRYZSYMXRKRK-UHFFFAOYSA-N
XLogP15.18
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.95
LogP ≤ 515.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,9-dimethyl-N-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393624
9,9-dimethyl-N-[4-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylfluoren-2-amine
CID 90393540
4-N-(9,9-dimethylfluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-1-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine
CID 59171720
3-N-(9-naphthalen-1-ylcarbazol-3-yl)-1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]benzene-1,3-diamine
CID 177275830
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-amine
CID 59171796
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-naphthalen-1-yl-N-phenylcarbazol-1-amine
CID 155004194
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-13,13-dimethyl-10-naphthalen-1-yl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-5-amine
CID 70885589
9,9-dimethyl-N-[4-[4-[2-(2-naphthalen-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 155038409
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-naphthalen-1-yl-N-phenylfluoren-2-amine
CID 58390108
N-[9,9-dimethyl-7-(7-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)fluoren-2-yl]-N,9-diphenylcarbazol-3-amine
CID 177100411

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine?
The IUPAC name of 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine (CID 58501363) is 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine.
What is the SMILES notation for 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine?
The canonical SMILES for 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3c(cc21)c1cc(N(c2ccccc2)c2ccccc2)ccc1n3-c1cccc2ccccc12.
What is the InChIKey of 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine?
The InChIKey is GGRRYZSYMXRKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H41N3/c1-55(2)50-35-44(57(41-24-11-5-12-25-41)42-26-13-6-14-27-42)30-32-46(50)47-37-54-49(36-51(47)55)48-34-43(56(39-20-7-3-8-21-39)40-22-9-4-10-23-40)31-33-53(48)58(54)52-29-17-19-38-18-15-16-28-45(38)52/h3-37H,1-2H3.
What are the key properties of 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine?
11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine has a molecular weight of 743.95 g/mol, XLogP of 15.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-5-naphthalen-1-yl-2-N,2-N,9-N,9-N-tetraphenylindeno[1,2-b]carbazole-2,9-diamine is sourced from PubChem (CID 58501363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).