N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline

C52H43N3 — CID 163645184

IUPACN-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline
SMILESC1=CCCC(C2=CC(N(c3ccccc3)c3ccc(-n4c5c(c6ccccc64)=CC4C6=C(CCc7ccccc76)N(c6ccccc6)C4C=5)cc3)CC=C2)=C1
InChIInChI=1S/C52H43N3/c1-4-15-36(16-5-1)38-18-14-23-43(33-38)53(39-19-6-2-7-20-39)41-28-30-42(31-29-41)54-48-26-13-12-25-45(48)46-34-47-51(35-50(46)54)55(40-21-8-3-9-22-40)49-32-27-37-17-10-11-24-44(37)52(47)49/h1-4,6-15,17-22,24-26,28-31,33-35,43,47,51H,5,16,23,27,32H2
InChIKeyIHQBZFNXVDYVMS-UHFFFAOYSA-N
MW709.94 g/mol
LogP10.74
Rot. Bonds6

About N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline

N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline (PubChem CID 163645184) has the molecular formula C52H43N3 and a molecular weight of 709.94 g/mol. Its IUPAC name is N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline.

Molecular Properties

Compound NameN-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline
PubChem CID163645184
Molecular FormulaC52H43N3
Molecular Weight709.94 g/mol
Exact Mass709.35
IUPAC NameN-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline
SMILESC1=CCCC(C2=CC(N(c3ccccc3)c3ccc(-n4c5c(c6ccccc64)=CC4C6=C(CCc7ccccc76)N(c6ccccc6)C4C=5)cc3)CC=C2)=C1
InChIInChI=1S/C52H43N3/c1-4-15-36(16-5-1)38-18-14-23-43(33-38)53(39-19-6-2-7-20-39)41-28-30-42(31-29-41)54-48-26-13-12-25-45(48)46-34-47-51(35-50(46)54)55(40-21-8-3-9-22-40)49-32-27-37-17-10-11-24-44(37)52(47)49/h1-4,6-15,17-22,24-26,28-31,33-35,43,47,51H,5,16,23,27,32H2
InChIKeyIHQBZFNXVDYVMS-UHFFFAOYSA-N
XLogP10.74
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.94
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline with MolForge

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-9-(4-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-(4-cyclohex-3-en-1-ylcyclohexa-1,3-dien-1-yl)phenyl]-2,3-dihydrocarbazol-2-amine
CID 170003265
9,9-dimethyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)-N-[4-(9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 146189114
4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 154935369
N-[4-[6-(4-benzo[a]carbazol-11-ylphenyl)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-yl]-4-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)aniline
CID 139339392
9,17-diphenyl-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,16,18-heptaene
CID 163545739
3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 166659537
N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145159851
4-cyclohexa-1,3-dien-1-yl-N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 170131651
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 166571246
2-cyclohexa-1,3-dien-1-yl-N-[4-[9-(4-cyclohexa-1,5-dien-1-ylphenyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-19-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 166702925
N-cyclohexa-2,4-dien-1-yl-4-[27-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-18-[4-(N-phenylanilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl]-N-phenylaniline
CID 131994501
N-cyclohexa-2,4-dien-1-yl-N-(4-cyclohexa-1,3-dien-1-ylphenyl)-7-(3,4-dihydrocarbazol-9-yl)-9,9-dimethylfluoren-2-amine
CID 155371764

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline?
The IUPAC name of N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline (CID 163645184) is N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline.
What is the SMILES notation for N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline?
The canonical SMILES for N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline is C1=CCCC(C2=CC(N(c3ccccc3)c3ccc(-n4c5c(c6ccccc64)=CC4C6=C(CCc7ccccc76)N(c6ccccc6)C4C=5)cc3)CC=C2)=C1.
What is the InChIKey of N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline?
The InChIKey is IHQBZFNXVDYVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N3/c1-4-15-36(16-5-1)38-18-14-23-43(33-38)53(39-19-6-2-7-20-39)41-28-30-42(31-29-41)54-48-26-13-12-25-45(48)46-34-47-51(35-50(46)54)55(40-21-8-3-9-22-40)49-32-27-37-17-10-11-24-44(37)52(47)49/h1-4,6-15,17-22,24-26,28-31,33-35,43,47,51H,5,16,23,27,32H2.
What are the key properties of N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline?
N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline has a molecular weight of 709.94 g/mol, XLogP of 10.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexa-1,3-dien-1-ylcyclohexa-2,4-dien-1-yl)-N-phenyl-4-(12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-2(11),3,5,7,14,17,19,21,23-nonaen-16-yl)aniline is sourced from PubChem (CID 163645184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).