N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine

C55H42N2 — CID 137385635

IUPACN-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c3c4ccccc4c(N(c4ccc(C5=CC=CCC5)cc4)c4ccc(-c5ccccc5)cc4)cc3n(-c3ccccc3)c21
InChIInChI=1S/C55H42N2/c1-55(2)48-25-15-14-24-46(48)53-49(55)35-34-47-52-45-23-13-12-22-44(45)50(36-51(52)57(54(47)53)41-20-10-5-11-21-41)56(42-30-26-39(27-31-42)37-16-6-3-7-17-37)43-32-28-40(29-33-43)38-18-8-4-9-19-38/h3-8,10-18,20-36H,9,19H2,1-2H3
InChIKeySIQJULYOESWVPM-UHFFFAOYSA-N
MW730.95 g/mol
LogP15.11
Rot. Bonds6

About N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine

N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine (PubChem CID 137385635) has the molecular formula C55H42N2 and a molecular weight of 730.95 g/mol. Its IUPAC name is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine.

Molecular Properties

Compound NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine
PubChem CID137385635
Molecular FormulaC55H42N2
Molecular Weight730.95 g/mol
Exact Mass730.33
IUPAC NameN-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine
SMILESCC1(C)c2ccccc2-c2c1ccc1c3c4ccccc4c(N(c4ccc(C5=CC=CCC5)cc4)c4ccc(-c5ccccc5)cc4)cc3n(-c3ccccc3)c21
InChIInChI=1S/C55H42N2/c1-55(2)48-25-15-14-24-46(48)53-49(55)35-34-47-52-45-23-13-12-22-44(45)50(36-51(52)57(54(47)53)41-20-10-5-11-21-41)56(42-30-26-39(27-31-42)37-16-6-3-7-17-37)43-32-28-40(29-33-43)38-18-8-4-9-19-38/h3-8,10-18,20-36H,9,19H2,1-2H3
InChIKeySIQJULYOESWVPM-UHFFFAOYSA-N
XLogP15.11
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.95
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine with MolForge

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Related Compounds

5-(9-cyclohexa-1,3-dien-1-yl-12-phenyl-[1]benzothiolo[3,2-a]carbazol-6-yl)-3-N-(9,9-dimethylfluoren-4-yl)-1-N,1-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 142290540
9,9-dimethyl-14-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-14-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-17-amine
CID 155791285
8,8-dimethyl-11-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-11-azapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),13,15,17,19-octaen-14-amine
CID 137385534
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-12-phenyl-N-(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385903
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-5-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 138723735
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-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
16,16-dimethyl-N,12-diphenyl-N-[4-(4-phenylphenyl)phenyl]-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine;prop-1-ene
CID 142509983
N-(2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167235034
N-(9,9-dimethylfluoren-4-yl)-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5,7,9,11,13,15,17-nonaen-8-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169060749
N-(9,9-dimethylfluoren-2-yl)-16,16-dimethyl-N,12-bis(4-phenylphenyl)-12-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17,19,21-undecaen-9-amine
CID 137385898
N-[4-(5-cyclohexa-1,3-dien-1-yl-7,9-diphenylcarbazol-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145159851

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine?
The IUPAC name of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine (CID 137385635) is N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine.
What is the SMILES notation for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine?
The canonical SMILES for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine is CC1(C)c2ccccc2-c2c1ccc1c3c4ccccc4c(N(c4ccc(C5=CC=CCC5)cc4)c4ccc(-c5ccccc5)cc4)cc3n(-c3ccccc3)c21.
What is the InChIKey of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine?
The InChIKey is SIQJULYOESWVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42N2/c1-55(2)48-25-15-14-24-46(48)53-49(55)35-34-47-52-45-23-13-12-22-44(45)50(36-51(52)57(54(47)53)41-20-10-5-11-21-41)56(42-30-26-39(27-31-42)37-16-6-3-7-17-37)43-32-28-40(29-33-43)38-18-8-4-9-19-38/h3-8,10-18,20-36H,9,19H2,1-2H3.
What are the key properties of N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine?
N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine has a molecular weight of 730.95 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexa-1,3-dien-1-ylphenyl)-9,9-dimethyl-24-phenyl-N-(4-phenylphenyl)-24-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-21-amine is sourced from PubChem (CID 137385635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).