4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine

C50H44N2 — CID 58232307

IUPAC4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
SMILESCc1cc(N(c2ccccc2)c2ccccc2)cc2c1-c1cc3c(c(C)c1C2(C)C)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C
InChIInChI=1S/C50H44N2/c1-33-29-40(52(37-23-15-9-16-24-37)38-25-17-10-18-26-38)31-44-46(33)42-32-45-47(34(2)48(42)50(44,5)6)41-28-27-39(30-43(41)49(45,3)4)51(35-19-11-7-12-20-35)36-21-13-8-14-22-36/h7-32H,1-6H3
InChIKeyTXBVBKWXJLWUSX-UHFFFAOYSA-N
MW672.92 g/mol
LogP13.86
Rot. Bonds6

About 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine

4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine (PubChem CID 58232307) has the molecular formula C50H44N2 and a molecular weight of 672.92 g/mol. Its IUPAC name is 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine.

Molecular Properties

Compound Name4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
PubChem CID58232307
Molecular FormulaC50H44N2
Molecular Weight672.92 g/mol
Exact Mass672.35
IUPAC Name4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
SMILESCc1cc(N(c2ccccc2)c2ccccc2)cc2c1-c1cc3c(c(C)c1C2(C)C)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C
InChIInChI=1S/C50H44N2/c1-33-29-40(52(37-23-15-9-16-24-37)38-25-17-10-18-26-38)31-44-46(33)42-32-45-47(34(2)48(42)50(44,5)6)41-28-27-39(30-43(41)49(45,3)4)51(35-19-11-7-12-20-35)36-21-13-8-14-22-36/h7-32H,1-6H3
InChIKeyTXBVBKWXJLWUSX-UHFFFAOYSA-N
XLogP13.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.92
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6,6,10,12,12-hexamethyl-2-N,8-N-diphenyl-8-N-(4-phenylphenyl)-2-N-[4-(3-phenylphenyl)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 90260304
1-N,1-N,5-N,5-N-tetraphenyl-3-N-(4-phenylphenyl)-3-N-(5,7,9,9-tetramethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117455
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N,4,11-hexakis-phenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232517
2-N,2-N,8-N,8-N-tetrakis(3,4-dimethylphenyl)-4,6,6,10,12,12-hexamethylindeno[1,2-b]fluorene-2,8-diamine
CID 58232252
4,11-ditert-butyl-6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine
CID 58232451
(3R)-5-N,5-N,5-N'-triphenyl-5-N'-(5,9,9-trimethylfluoren-2-yl)-3,3'-spirobi[1,2-dihydroindene]-5,5'-diamine
CID 170779845
2-N,9-N-bis(4-cyclohexylphenyl)-4,7,11,11,12,12-hexamethyl-2-N,9-N-diphenylindeno[2,1-a]fluorene-2,9-diamine
CID 58232279
4,6,6,10,12,12-hexamethyl-2-N,8-N-bis(2-methylphenyl)-2-N,8-N-bis(3-methylphenyl)indeno[1,2-b]fluorene-2,8-diamine
CID 58232463
21,21-dimethyl-N,N-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 155298572
5,6,11,11,12,12-hexamethyl-2-N,9-N-diphenyl-2-N,9-N-bis[4-(trifluoromethyl)phenyl]indeno[2,1-a]fluorene-2,9-diamine
CID 88954286
1-N,1-N,5-N,5-N-tetraphenyl-3-N-[2-(4-phenylphenyl)phenyl]-3-N-(5,9,9-trimethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117407
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773

Frequently Asked Questions

What is the IUPAC name of 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine?
The IUPAC name of 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine (CID 58232307) is 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine.
What is the SMILES notation for 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine?
The canonical SMILES for 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine is Cc1cc(N(c2ccccc2)c2ccccc2)cc2c1-c1cc3c(c(C)c1C2(C)C)-c1ccc(N(c2ccccc2)c2ccccc2)cc1C3(C)C.
What is the InChIKey of 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine?
The InChIKey is TXBVBKWXJLWUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N2/c1-33-29-40(52(37-23-15-9-16-24-37)38-25-17-10-18-26-38)31-44-46(33)42-32-45-47(34(2)48(42)50(44,5)6)41-28-27-39(30-43(41)49(45,3)4)51(35-19-11-7-12-20-35)36-21-13-8-14-22-36/h7-32H,1-6H3.
What are the key properties of 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine?
4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine has a molecular weight of 672.92 g/mol, XLogP of 13.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6,11,12,12-hexamethyl-2-N,2-N,8-N,8-N-tetraphenylindeno[1,2-b]fluorene-2,8-diamine is sourced from PubChem (CID 58232307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).