N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine

C39H28Br2N2 — CID 58113386

IUPACN,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
SMILESCC1(C)c2cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C39H28Br2N2/c1-39(2)35-22-30(42(28-16-12-25(40)13-17-28)29-18-14-26(41)15-19-29)20-21-31(35)33-23-34-32-10-6-7-11-37(32)43(38(34)24-36(33)39)27-8-4-3-5-9-27/h3-24H,1-2H3
InChIKeyCDHWJGUEHZUQKU-UHFFFAOYSA-N
MW684.48 g/mol
LogP12.08
Rot. Bonds4

About N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine

N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine (PubChem CID 58113386) has the molecular formula C39H28Br2N2 and a molecular weight of 684.48 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
PubChem CID58113386
Molecular FormulaC39H28Br2N2
Molecular Weight684.48 g/mol
Exact Mass682.06
IUPAC NameN,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine
SMILESCC1(C)c2cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C39H28Br2N2/c1-39(2)35-22-30(42(28-16-12-25(40)13-17-28)29-18-14-26(41)15-19-29)20-21-31(35)33-23-34-32-10-6-7-11-37(32)43(38(34)24-36(33)39)27-8-4-3-5-9-27/h3-24H,1-2H3
InChIKeyCDHWJGUEHZUQKU-UHFFFAOYSA-N
XLogP12.08
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.48
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?
The IUPAC name of N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine (CID 58113386) is N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine is CC1(C)c2cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)ccc2-c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?
The InChIKey is CDHWJGUEHZUQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28Br2N2/c1-39(2)35-22-30(42(28-16-12-25(40)13-17-28)29-18-14-26(41)15-19-29)20-21-31(35)33-23-34-32-10-6-7-11-37(32)43(38(34)24-36(33)39)27-8-4-3-5-9-27/h3-24H,1-2H3.
What are the key properties of N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine?
N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine has a molecular weight of 684.48 g/mol, XLogP of 12.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-9-amine is sourced from PubChem (CID 58113386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).