N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine

C45H32N2 — CID 144960659

IUPACN,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2c(n3-c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-2)cc1
InChIInChI=1S/C45H32N2/c1-6-18-33(19-7-1)45(34-20-8-2-9-21-34)41-29-17-16-28-39(41)43-40-32-38(30-31-42(40)47(44(43)45)37-26-14-5-15-27-37)46(35-22-10-3-11-23-35)36-24-12-4-13-25-36/h1-32H
InChIKeyHGXITUAUOASIIO-UHFFFAOYSA-N
MW600.77 g/mol
LogP11.46
Rot. Bonds6

About N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine

N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine (PubChem CID 144960659) has the molecular formula C45H32N2 and a molecular weight of 600.77 g/mol. Its IUPAC name is N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine.

Molecular Properties

Compound NameN,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine
PubChem CID144960659
Molecular FormulaC45H32N2
Molecular Weight600.77 g/mol
Exact Mass600.26
IUPAC NameN,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(c2)c2c(n3-c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-2)cc1
InChIInChI=1S/C45H32N2/c1-6-18-33(19-7-1)45(34-20-8-2-9-21-34)41-29-17-16-28-39(41)43-40-32-38(30-31-42(40)47(44(43)45)37-26-14-5-15-27-37)46(35-22-10-3-11-23-35)36-24-12-4-13-25-36/h1-32H
InChIKeyHGXITUAUOASIIO-UHFFFAOYSA-N
XLogP11.46
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.77
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(5,6,6-triphenylindeno[2,1-b]indol-2-yl)phenyl]fluoren-2-amine
CID 134507447
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
N,9-diphenyl-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-3-amine
CID 126538335
9-phenyl-7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)carbazol-3-amine
CID 167334078
5,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 169009697
4-phenyl-N-(4-phenylphenyl)-N-[4-[9-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 167334212
N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264404
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine
CID 167334144
N,9,9-triphenyl-N-[9-phenyl-9-(9-phenylcarbazol-1-yl)fluoren-2-yl]fluoren-2-amine
CID 134452955
N-(7,7-diphenylbenzo[c]fluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 146364307

Frequently Asked Questions

What is the IUPAC name of N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine?
The IUPAC name of N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine (CID 144960659) is N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine.
What is the SMILES notation for N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine?
The canonical SMILES for N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine is c1ccc(N(c2ccccc2)c2ccc3c(c2)c2c(n3-c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc3-2)cc1.
What is the InChIKey of N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine?
The InChIKey is HGXITUAUOASIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H32N2/c1-6-18-33(19-7-1)45(34-20-8-2-9-21-34)41-29-17-16-28-39(41)43-40-32-38(30-31-42(40)47(44(43)45)37-26-14-5-15-27-37)46(35-22-10-3-11-23-35)36-24-12-4-13-25-36/h1-32H.
What are the key properties of N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine?
N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine has a molecular weight of 600.77 g/mol, XLogP of 11.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5,6,6-pentakis-phenylindeno[2,1-b]indol-2-amine is sourced from PubChem (CID 144960659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).