N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline

C44H36Br2N2 — CID 149451842

IUPACN,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline
SMILESCC12CCC(C)(CC1)c1cc(-c3cc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)cc(-n4c5ccccc5c5ccccc54)c3)ccc12
InChIInChI=1S/C44H36Br2N2/c1-43-21-23-44(2,24-22-43)40-27-29(11-20-39(40)43)30-25-35(47(33-16-12-31(45)13-17-33)34-18-14-32(46)15-19-34)28-36(26-30)48-41-9-5-3-7-37(41)38-8-4-6-10-42(38)48/h3-20,25-28H,21-24H2,1-2H3
InChIKeyYXUGFTMMGYKZOY-UHFFFAOYSA-N
MW752.59 g/mol
LogP13.55
Rot. Bonds5

About N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline

N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline (PubChem CID 149451842) has the molecular formula C44H36Br2N2 and a molecular weight of 752.59 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline
PubChem CID149451842
Molecular FormulaC44H36Br2N2
Molecular Weight752.59 g/mol
Exact Mass750.12
IUPAC NameN,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline
SMILESCC12CCC(C)(CC1)c1cc(-c3cc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)cc(-n4c5ccccc5c5ccccc54)c3)ccc12
InChIInChI=1S/C44H36Br2N2/c1-43-21-23-44(2,24-22-43)40-27-29(11-20-39(40)43)30-25-35(47(33-16-12-31(45)13-17-33)34-18-14-32(46)15-19-34)28-36(26-30)48-41-9-5-3-7-37(41)38-8-4-6-10-42(38)48/h3-20,25-28H,21-24H2,1-2H3
InChIKeyYXUGFTMMGYKZOY-UHFFFAOYSA-N
XLogP13.55
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.59
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-5-(1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-4-yl)-N,N-diphenylaniline
CID 147313097
N-(4-bromophenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 66584191
9-[3-(4-bromophenyl)-5-carbazol-9-ylphenyl]carbazole
CID 59413518
3,5-di(carbazol-9-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 164822811
N-[4-[4-(4-bromophenyl)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 121328111
5-[3,5-di(carbazol-9-yl)phenyl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 58827958
3-[3-(4-bromophenyl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 90215090
N-[4-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,3,5-triphenylaniline
CID 118289059
4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-N,N-bis[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]aniline
CID 71493884
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
4-(3-carbazol-9-ylphenyl)-N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;9-[3-[3-(3-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 161275498
7-[3,5-di(carbazol-9-yl)phenyl]-N,N-diphenyltriphenylen-2-amine
CID 88884831

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline?
The IUPAC name of N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline (CID 149451842) is N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline.
What is the SMILES notation for N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline?
The canonical SMILES for N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline is CC12CCC(C)(CC1)c1cc(-c3cc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)cc(-n4c5ccccc5c5ccccc54)c3)ccc12.
What is the InChIKey of N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline?
The InChIKey is YXUGFTMMGYKZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H36Br2N2/c1-43-21-23-44(2,24-22-43)40-27-29(11-20-39(40)43)30-25-35(47(33-16-12-31(45)13-17-33)34-18-14-32(46)15-19-34)28-36(26-30)48-41-9-5-3-7-37(41)38-8-4-6-10-42(38)48/h3-20,25-28H,21-24H2,1-2H3.
What are the key properties of N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline?
N,N-bis(4-bromophenyl)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline has a molecular weight of 752.59 g/mol, XLogP of 13.55, 5 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)-3-carbazol-9-yl-5-(1,8-dimethyl-4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)aniline is sourced from PubChem (CID 149451842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).