N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine

C48H36N2 — CID 167281644

IUPACN-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine
SMILESC1=CCC(n2c3ccccc3c3cc(N(C4=CC=CC5C=CC=CC45)c4cccc5c4C4=c6ccccc6=CC6CC=CC5=C46)ccc32)C=C1
InChIInChI=1S/C48H36N2/c1-2-17-34(18-3-1)49-43-24-9-8-21-38(43)41-30-35(27-28-44(41)49)50(42-25-11-15-31-13-4-6-19-36(31)42)45-26-12-23-40-39-22-10-16-33-29-32-14-5-7-20-37(32)48(46(33)39)47(40)45/h1-15,17,19-31,33-34,36H,16,18H2
InChIKeyWOJDDEPEFHSWGN-UHFFFAOYSA-N
MW640.83 g/mol
LogP10.14
Rot. Bonds4

About N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine

N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine (PubChem CID 167281644) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine
PubChem CID167281644
Molecular FormulaC48H36N2
Molecular Weight640.83 g/mol
Exact Mass640.29
IUPAC NameN-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine
SMILESC1=CCC(n2c3ccccc3c3cc(N(C4=CC=CC5C=CC=CC45)c4cccc5c4C4=c6ccccc6=CC6CC=CC5=C46)ccc32)C=C1
InChIInChI=1S/C48H36N2/c1-2-17-34(18-3-1)49-43-24-9-8-21-38(43)41-30-35(27-28-44(41)49)50(42-25-11-15-31-13-4-6-19-36(31)42)45-26-12-23-40-39-22-10-16-33-29-32-14-5-7-20-37(32)48(46(33)39)47(40)45/h1-15,17,19-31,33-34,36H,16,18H2
InChIKeyWOJDDEPEFHSWGN-UHFFFAOYSA-N
XLogP10.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.83
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine with MolForge

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Related Compounds

9-cyclohexa-2,4-dien-1-yl-N-phenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 134416567
N-[9-(4,4a,5,6-tetrahydronaphthalen-1-yl)carbazol-3-yl]-9-cyclohexa-2,4-dien-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-1-amine
CID 145345870
9-cyclohexa-2,4-dien-1-yl-N-(9-cyclohexa-1,5-dien-1-yl-4b,8a-dihydrocarbazol-3-yl)-N-phenylcarbazol-3-amine
CID 70973422
9-cyclohexa-2,4-dien-1-yl-3-N,6-N-diphenyl-3-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-6-N-(9-phenylcarbazol-3-yl)carbazole-3,6-diamine
CID 163446293
9-cyclohexa-2,4-dien-1-yl-3-phenylcarbazole
CID 129111739
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-9-phenylcarbazole
CID 142322093
9-cyclohexa-2,4-dien-1-yl-3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)carbazole
CID 163416606
3-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118686609
9-(6-methyl-5,6-dihydronaphthalen-2-yl)-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,9,11,13,15,17-nonaenyl)-N-phenylcarbazol-3-amine
CID 167281710
3-(9-cyclohexa-2,4-dien-1-ylcarbazol-4-yl)-N-(4-phenanthren-9-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167194945
N-[4-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylcyclohexa-1,3-dien-1-yl)fluoren-2-amine
CID 146509977
5-(9-cyclohexa-2,4-dien-1-ylcarbazol-3-yl)-3-N-(9,9-dimethylfluoren-2-yl)-1-N-(4-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 66837991

Frequently Asked Questions

What is the IUPAC name of N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine?
The IUPAC name of N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine (CID 167281644) is N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine.
What is the SMILES notation for N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine?
The canonical SMILES for N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine is C1=CCC(n2c3ccccc3c3cc(N(C4=CC=CC5C=CC=CC45)c4cccc5c4C4=c6ccccc6=CC6CC=CC5=C46)ccc32)C=C1.
What is the InChIKey of N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine?
The InChIKey is WOJDDEPEFHSWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H36N2/c1-2-17-34(18-3-1)49-43-24-9-8-21-38(43)41-30-35(27-28-44(41)49)50(42-25-11-15-31-13-4-6-19-36(31)42)45-26-12-23-40-39-22-10-16-33-29-32-14-5-7-20-37(32)48(46(33)39)47(40)45/h1-15,17,19-31,33-34,36H,16,18H2.
What are the key properties of N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine?
N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine has a molecular weight of 640.83 g/mol, XLogP of 10.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4a,8a-dihydronaphthalen-1-yl)-9-cyclohexa-2,4-dien-1-yl-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(19),2(7),3,5,8(20),9,13,15,17-nonaenyl)carbazol-3-amine is sourced from PubChem (CID 167281644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).