4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline

C66H42N4 — CID 59103397

IUPAC4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(N(c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C66H42N4/c1-4-16-52-43(13-1)25-40-61-64(52)55-19-7-10-22-58(55)68(61)49-34-28-46(29-35-49)67(47-30-36-50(37-31-47)69-59-23-11-8-20-56(59)65-53-17-5-2-14-44(53)26-41-62(65)69)48-32-38-51(39-33-48)70-60-24-12-9-21-57(60)66-54-18-6-3-15-45(54)27-42-63(66)70/h1-42H
InChIKeyXHBBYJSNDRHVRE-UHFFFAOYSA-N
MW891.09 g/mol
LogP17.91
Rot. Bonds6

About 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline

4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline (PubChem CID 59103397) has the molecular formula C66H42N4 and a molecular weight of 891.09 g/mol. Its IUPAC name is 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline.

Molecular Properties

Compound Name4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
PubChem CID59103397
Molecular FormulaC66H42N4
Molecular Weight891.09 g/mol
Exact Mass890.34
IUPAC Name4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
SMILESc1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(N(c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc1
InChIInChI=1S/C66H42N4/c1-4-16-52-43(13-1)25-40-61-64(52)55-19-7-10-22-58(55)68(61)49-34-28-46(29-35-49)67(47-30-36-50(37-31-47)69-59-23-11-8-20-56(59)65-53-17-5-2-14-44(53)26-41-62(65)69)48-32-38-51(39-33-48)70-60-24-12-9-21-57(60)66-54-18-6-3-15-45(54)27-42-63(66)70/h1-42H
InChIKeyXHBBYJSNDRHVRE-UHFFFAOYSA-N
XLogP17.91
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
N-(4-benzo[c]carbazol-7-ylphenyl)-N-dibenzothiophen-2-yldibenzothiophen-2-amine
CID 167038184
9-N,15-N-bis(4-benzo[c]carbazol-7-ylphenyl)-9-N,15-N,12-triphenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 154593333
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
N-phenyl-N-[4-[4-(10-phenylbenzo[c]carbazol-7-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 90296031
N-(4-benzo[c]carbazol-7-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-benzo[c]carbazol-7-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;4-naphthalen-2-yl-N-phenyl-N-[4-(9-phenylbenzo[c]carbazol-7-yl)phenyl]aniline
CID 159709089
12-[4-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59103404
N,N-diphenyl-4-[4-[7-(4-phenylphenyl)benzo[g]carbazol-9-yl]phenyl]aniline
CID 145362201
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
CID 155034728
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136

Frequently Asked Questions

What is the IUPAC name of 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline?
The IUPAC name of 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline (CID 59103397) is 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline.
What is the SMILES notation for 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline?
The canonical SMILES for 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline is c1ccc2c(c1)ccc1c2c2ccccc2n1-c1ccc(N(c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)cc1.
What is the InChIKey of 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline?
The InChIKey is XHBBYJSNDRHVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4/c1-4-16-52-43(13-1)25-40-61-64(52)55-19-7-10-22-58(55)68(61)49-34-28-46(29-35-49)67(47-30-36-50(37-31-47)69-59-23-11-8-20-56(59)65-53-17-5-2-14-44(53)26-41-62(65)69)48-32-38-51(39-33-48)70-60-24-12-9-21-57(60)66-54-18-6-3-15-45(54)27-42-63(66)70/h1-42H.
What are the key properties of 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline?
4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline has a molecular weight of 891.09 g/mol, XLogP of 17.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline is sourced from PubChem (CID 59103397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).