N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline

C56H43N3 — CID 138467786

IUPACN-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline
SMILESC1=CCC(N(C2=CC=C(c3ccc4ccccc4c3)CC2)c2cccc(N3c4ccccc4C4=Cc5c(n(-c6ccccc6)c6ccc7ccccc7c56)CC43)c2)C=C1
InChIInChI=1S/C56H43N3/c1-3-17-43(18-4-1)57(45-31-28-39(29-32-45)42-27-26-38-14-7-8-16-41(38)34-42)46-21-13-22-47(35-46)59-52-25-12-11-24-49(52)50-36-51-55(37-54(50)59)58(44-19-5-2-6-20-44)53-33-30-40-15-9-10-23-48(40)56(51)53/h1-17,19-28,30-31,33-36,43,54H,18,29,32,37H2
InChIKeyBYHKUXGURCFTQW-UHFFFAOYSA-N
MW757.98 g/mol
LogP14.01
Rot. Bonds6

About N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline

N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline (PubChem CID 138467786) has the molecular formula C56H43N3 and a molecular weight of 757.98 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline
PubChem CID138467786
Molecular FormulaC56H43N3
Molecular Weight757.98 g/mol
Exact Mass757.35
IUPAC NameN-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline
SMILESC1=CCC(N(C2=CC=C(c3ccc4ccccc4c3)CC2)c2cccc(N3c4ccccc4C4=Cc5c(n(-c6ccccc6)c6ccc7ccccc7c56)CC43)c2)C=C1
InChIInChI=1S/C56H43N3/c1-3-17-43(18-4-1)57(45-31-28-39(29-32-45)42-27-26-38-14-7-8-16-41(38)34-42)46-21-13-22-47(35-46)59-52-25-12-11-24-49(52)50-36-51-55(37-54(50)59)58(44-19-5-2-6-20-44)53-33-30-40-15-9-10-23-48(40)56(51)53/h1-17,19-28,30-31,33-36,43,54H,18,29,32,37H2
InChIKeyBYHKUXGURCFTQW-UHFFFAOYSA-N
XLogP14.01
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.98
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[8-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-9-naphthalen-1-ylcarbazol-3-yl]-N,N-diphenylaniline
CID 146269861
N-[4-[4-(3-cyclohexa-2,4-dien-1-yl-6-phenyl-1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 146568181
1-(4-tert-butylphenyl)-N-cyclohexa-2,4-dien-1-yl-5-(2-cyclohexa-1,3-dien-1-yl-1-naphthalen-1-ylindol-5-yl)-N-phenylindol-2-amine
CID 71229867
6-N-cyclohexa-2,4-dien-1-yl-9,10-di(phenanthren-2-yl)-2-N,2-N,6-N-triphenylanthracene-2,6-diamine
CID 89049797
9-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,9a-dihydrocarbazole
CID 166917692
N-(4-phenylcyclohexa-1,3-dien-1-yl)-N-(4-phenylcyclohexa-2,4-dien-1-yl)-9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-amine
CID 167154612
3-N-cyclohexa-2,4-dien-1-yl-1-N,1-N,3-N-triphenyl-5-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 129300989
N-naphthalen-2-yl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl)-9-phenyl-1,2-dihydrocarbazol-2-amine
CID 167281738
9-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-3-(9-naphthalen-1-yl-1,9a-dihydrocarbazol-3-yl)carbazole
CID 170143175
3-(9-phenyl-7,8-dihydrocarbazol-3-yl)-9-triphenylen-2-yl-1,9a-dihydrocarbazole
CID 142505029
N,N-bis(4-naphthalen-2-ylphenyl)-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 166659643
2-(6-naphthalen-1-ylnaphthalen-2-yl)-7-phenylbenzo[c]carbazole
CID 130351342

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline?
The IUPAC name of N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline (CID 138467786) is N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline?
The canonical SMILES for N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline is C1=CCC(N(C2=CC=C(c3ccc4ccccc4c3)CC2)c2cccc(N3c4ccccc4C4=Cc5c(n(-c6ccccc6)c6ccc7ccccc7c56)CC43)c2)C=C1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline?
The InChIKey is BYHKUXGURCFTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N3/c1-3-17-43(18-4-1)57(45-31-28-39(29-32-45)42-27-26-38-14-7-8-16-41(38)34-42)46-21-13-22-47(35-46)59-52-25-12-11-24-49(52)50-36-51-55(37-54(50)59)58(44-19-5-2-6-20-44)53-33-30-40-15-9-10-23-48(40)56(51)53/h1-17,19-28,30-31,33-36,43,54H,18,29,32,37H2.
What are the key properties of N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline?
N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline has a molecular weight of 757.98 g/mol, XLogP of 14.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-yl-N-(4-naphthalen-2-ylcyclohexa-1,3-dien-1-yl)-3-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,17,19,21,23-decaen-16-yl)aniline is sourced from PubChem (CID 138467786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).