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

C82H53N5 — CID 154593333

IUPAC9-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
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C82H53N5/c1-4-24-56(25-5-1)83(59-42-46-61(47-43-59)85-71-38-20-18-36-69(71)79-63-30-12-10-22-54(63)40-50-73(79)85)75-52-77-81(67-34-16-14-32-65(67)75)82-68-35-17-15-33-66(68)76(53-78(82)87(77)58-28-8-3-9-29-58)84(57-26-6-2-7-27-57)60-44-48-62(49-45-60)86-72-39-21-19-37-70(72)80-64-31-13-11-23-55(64)41-51-74(80)86/h1-53H
InChIKeyRTZHYGXFQCYIRZ-UHFFFAOYSA-N
MW1108.36 g/mol
LogP22.53
Rot. Bonds9

About 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

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 (PubChem CID 154593333) has the molecular formula C82H53N5 and a molecular weight of 1108.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID154593333
Molecular FormulaC82H53N5
Molecular Weight1108.36 g/mol
Exact Mass1107.43
IUPAC Name9-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
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc2n3-c2ccccc2)cc1
InChIInChI=1S/C82H53N5/c1-4-24-56(25-5-1)83(59-42-46-61(47-43-59)85-71-38-20-18-36-69(71)79-63-30-12-10-22-54(63)40-50-73(79)85)75-52-77-81(67-34-16-14-32-65(67)75)82-68-35-17-15-33-66(68)76(53-78(82)87(77)58-28-8-3-9-29-58)84(57-26-6-2-7-27-57)60-44-48-62(49-45-60)86-72-39-21-19-37-70(72)80-64-31-13-11-23-55(64)41-51-74(80)86/h1-53H
InChIKeyRTZHYGXFQCYIRZ-UHFFFAOYSA-N
XLogP22.53
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.36
LogP ≤ 522.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
CID 59103397
9-N,9-N,15-N,15-N,12-pentakis-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-9,15-diamine
CID 153487388
N-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 167038041
9-N,9-N,15-N,15-N-tetraphenyl-12-(4-phenylphenyl)-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 153487397
2-N,4-N,4-N,9-tetraphenyl-2-N-(5-phenylbenzo[b]carbazol-2-yl)carbazole-2,4-diamine;2-N,4-N,4-N,9-tetraphenyl-2-N-(7-phenylbenzo[c]carbazol-10-yl)carbazole-2,4-diamine;2-N,4-N,9-triphenyl-2-N,4-N-bis(9-phenylcarbazol-2-yl)carbazole-2,4-diamine
CID 157249821
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136
N-chrysen-5-yl-N,9-diphenylcarbazol-3-amine
CID 170138928
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
3-(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)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-[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]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline;4-carbazol-9-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphthalen-1-amine
CID 158692048
N-naphthalen-2-yl-7-phenyl-N-(4-phenylphenyl)benzo[c]carbazol-4-amine
CID 165006232
N-(4-benzo[c]carbazol-7-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 138468062
4-benzo[c]carbazol-7-yl-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 167038157

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc(-n3c4ccccc4c4c5ccccc5ccc43)cc2)c2cc3c(c4ccccc24)c2c4ccccc4c(N(c4ccccc4)c4ccc(-n5c6ccccc6c6c7ccccc7ccc65)cc4)cc2n3-c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is RTZHYGXFQCYIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H53N5/c1-4-24-56(25-5-1)83(59-42-46-61(47-43-59)85-71-38-20-18-36-69(71)79-63-30-12-10-22-54(63)40-50-73(79)85)75-52-77-81(67-34-16-14-32-65(67)75)82-68-35-17-15-33-66(68)76(53-78(82)87(77)58-28-8-3-9-29-58)84(57-26-6-2-7-27-57)60-44-48-62(49-45-60)86-72-39-21-19-37-70(72)80-64-31-13-11-23-55(64)41-51-74(80)86/h1-53H.
What are the key properties of 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?
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 has a molecular weight of 1108.36 g/mol, XLogP of 22.53, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154593333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).