7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine

C41H36N2 — CID 70819605

IUPAC7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine
SMILESCc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C1CC=CC=C1N3c1ccccc1)c1ccccc1C
InChIInChI=1S/C41H36N2/c1-27-14-8-11-19-37(27)43(38-20-12-9-15-28(38)2)30-22-23-31-33-25-34-32-18-10-13-21-39(32)42(29-16-6-5-7-17-29)40(34)26-36(33)41(3,4)35(31)24-30/h5-17,19-26,32H,18H2,1-4H3
InChIKeyPHVWPAHXEZEFCR-UHFFFAOYSA-N
MW556.75 g/mol
LogP11.16
Rot. Bonds4

About 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine

7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine (PubChem CID 70819605) has the molecular formula C41H36N2 and a molecular weight of 556.75 g/mol. Its IUPAC name is 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine.

Molecular Properties

Compound Name7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine
PubChem CID70819605
Molecular FormulaC41H36N2
Molecular Weight556.75 g/mol
Exact Mass556.29
IUPAC Name7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine
SMILESCc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C1CC=CC=C1N3c1ccccc1)c1ccccc1C
InChIInChI=1S/C41H36N2/c1-27-14-8-11-19-37(27)43(38-20-12-9-15-28(38)2)30-22-23-31-33-25-34-32-18-10-13-21-39(32)42(29-16-6-5-7-17-29)40(34)26-36(33)41(3,4)35(31)24-30/h5-17,19-26,32H,18H2,1-4H3
InChIKeyPHVWPAHXEZEFCR-UHFFFAOYSA-N
XLogP11.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 511.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-phenyl-4b,5-dihydrocarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 145370596
7,7-dimethyl-5-phenyl-9-[4-[3-(2,4,6-trimethyl-3,5-diphenylphenyl)phenyl]naphthalen-1-yl]-1,12b-dihydroindeno[2,1-b]carbazole
CID 88941278
N-[4-(4,4a-dihydrocarbazol-9-yl)phenyl]-6,6,12,12-tetramethyl-10-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 167169670
6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)-4,4a-dihydrocarbazole
CID 145340628
7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
CID 59246550
7-(4,4a-dihydrocarbazol-9-yl)-9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 167154560
9-phenyl-4,4a-dihydrocarbazole
CID 139382101
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine
CID 118133914
N-(3,5-dimethylphenyl)-7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-2-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 89068057
12,12,22,22-tetramethyl-9-N,9-N,19-N,19-N-tetraphenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),5,7,9,14,16(21),17,19,23-decaene-9,19-diamine
CID 123655872
6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(2,6-diphenyl-1,2-dihydropyridin-4-yl)phenyl]-4,4a-dihydrocarbazole
CID 145340775

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine?
The IUPAC name of 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine (CID 70819605) is 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine.
What is the SMILES notation for 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine?
The canonical SMILES for 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine is Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C1CC=CC=C1N3c1ccccc1)c1ccccc1C.
What is the InChIKey of 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine?
The InChIKey is PHVWPAHXEZEFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N2/c1-27-14-8-11-19-37(27)43(38-20-12-9-15-28(38)2)30-22-23-31-33-25-34-32-18-10-13-21-39(32)42(29-16-6-5-7-17-29)40(34)26-36(33)41(3,4)35(31)24-30/h5-17,19-26,32H,18H2,1-4H3.
What are the key properties of 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine?
7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine has a molecular weight of 556.75 g/mol, XLogP of 11.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N,N-bis(2-methylphenyl)-5-phenyl-1,12b-dihydroindeno[2,1-b]carbazol-9-amine is sourced from PubChem (CID 70819605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).