2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine

C55H62N2 — CID 66805214

IUPAC2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)c2cc(C(C)(C)C)ccc2n4-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C55H62N2/c1-51(2,3)35-15-22-39(23-16-35)56(40-24-17-36(18-25-40)52(4,5)6)42-28-29-43-44-33-46-45-31-38(54(10,11)12)21-30-49(45)57(41-26-19-37(20-27-41)53(7,8)9)50(46)34-48(44)55(13,14)47(43)32-42/h15-34H,1-14H3
InChIKeyJTJHXWDPJZWWDW-UHFFFAOYSA-N
MW751.11 g/mol
LogP15.75
Rot. Bonds4

About 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine

2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine (PubChem CID 66805214) has the molecular formula C55H62N2 and a molecular weight of 751.11 g/mol. Its IUPAC name is 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine.

Molecular Properties

Compound Name2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine
PubChem CID66805214
Molecular FormulaC55H62N2
Molecular Weight751.11 g/mol
Exact Mass750.49
IUPAC Name2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)c2cc(C(C)(C)C)ccc2n4-c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C55H62N2/c1-51(2,3)35-15-22-39(23-16-35)56(40-24-17-36(18-25-40)52(4,5)6)42-28-29-43-44-33-46-45-31-38(54(10,11)12)21-30-49(45)57(41-26-19-37(20-27-41)53(7,8)9)50(46)34-48(44)55(13,14)47(43)32-42/h15-34H,1-14H3
InChIKeyJTJHXWDPJZWWDW-UHFFFAOYSA-N
XLogP15.75
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.11
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine with MolForge

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Related Compounds

6-N,20-N-bis(4-tert-butylphenyl)-6-N,20-N-bis(9,9-dimethylfluoren-3-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine;6,20-bis(3,6-ditert-butylcarbazol-9-yl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene;6-N,6-N,20-N,20-N-tetrakis(4-tert-butylphenyl)-10,16-diphenyl-10,16-diazahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-6,20-diamine
CID 159357928
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
7,7-dimethyl-5-phenyl-N,N-bis(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66805021
7-[3,6-bis(2-methylbutan-2-yl)carbazol-9-yl]-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 144745751
N-(4-tert-butylphenyl)-9-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-ylcarbazol-2-amine
CID 126738644
5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126498124
7,7-dimethyl-N,5-diphenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-9-amine
CID 66804881
2-N,7-N-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine
CID 58969350
3-N,8-N-bis(4-tert-butylphenyl)-3-N,8-N-bis(9,9-dimethylfluoren-2-yl)-5-phenylbenzo[b]carbazole-3,8-diamine
CID 139573299
2-tert-butyl-5-[6-(2-tert-butyl-7,7-dimethylindeno[2,1-b]carbazol-5-yl)anthracen-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 121355720
9,9-dimethyl-N,N-diphenyl-7-[2-[4-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)phenyl]ethynyl]fluoren-2-amine
CID 89492402
N-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-13,13-dimethyl-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 70893084

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine?
The IUPAC name of 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine (CID 66805214) is 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine.
What is the SMILES notation for 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine?
The canonical SMILES for 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C)(C)c2cc4c(cc2-3)c2cc(C(C)(C)C)ccc2n4-c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine?
The InChIKey is JTJHXWDPJZWWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H62N2/c1-51(2,3)35-15-22-39(23-16-35)56(40-24-17-36(18-25-40)52(4,5)6)42-28-29-43-44-33-46-45-31-38(54(10,11)12)21-30-49(45)57(41-26-19-37(20-27-41)53(7,8)9)50(46)34-48(44)55(13,14)47(43)32-42/h15-34H,1-14H3.
What are the key properties of 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine?
2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine has a molecular weight of 751.11 g/mol, XLogP of 15.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N,5-tris(4-tert-butylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-9-amine is sourced from PubChem (CID 66805214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).