N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine

C50H36N2 — CID 167281741

IUPACN-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine
SMILESC1=CC(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)C2C=C(c3ccccc3)C=CC2)C2C(=C1)c1c3ccccc3cc3cccc2c13
InChIInChI=1S/C50H36N2/c1-3-14-33(15-4-1)34-17-11-21-38(31-34)51(39-28-29-42-41-23-9-10-26-45(41)52(47(42)32-39)37-19-5-2-6-20-37)46-27-13-25-44-49(46)43-24-12-18-36-30-35-16-7-8-22-40(35)50(44)48(36)43/h1-20,22-32,38,46,49H,21H2
InChIKeyVLZCUIVXDKNOKA-UHFFFAOYSA-N
MW664.85 g/mol
LogP12.43
Rot. Bonds5

About N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine

N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine (PubChem CID 167281741) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine.

Molecular Properties

Compound NameN-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine
PubChem CID167281741
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC NameN-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine
SMILESC1=CC(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)C2C=C(c3ccccc3)C=CC2)C2C(=C1)c1c3ccccc3cc3cccc2c13
InChIInChI=1S/C50H36N2/c1-3-14-33(15-4-1)34-17-11-21-38(31-34)51(39-28-29-42-41-23-9-10-26-45(41)52(47(42)32-39)37-19-5-2-6-20-37)46-27-13-25-44-49(46)43-24-12-18-36-30-35-16-7-8-22-40(35)50(44)48(36)43/h1-20,22-32,38,46,49H,21H2
InChIKeyVLZCUIVXDKNOKA-UHFFFAOYSA-N
XLogP12.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine with MolForge

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Related Compounds

3,5-diphenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)cyclohexa-2,4-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 166659537
N-naphthalen-1-yl-N-(3-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-phenylcarbazol-2-amine
CID 167357271
N-[4-(3-carbazol-9-ylphenyl)cyclohexa-2,4-dien-1-yl]-4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)-N-[4-(3-dibenzofuran-4-ylcyclohexa-1,5-dien-1-yl)phenyl]aniline
CID 163594248
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
3-carbazol-9-yl-9-[3-(3-phenylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 130217889
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 169065210
N-dibenzofuran-2-yl-N-(5-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-phenylcarbazol-2-amine
CID 167357231
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-9-phenyl-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 170297719

Frequently Asked Questions

What is the IUPAC name of N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine?
The IUPAC name of N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine (CID 167281741) is N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine.
What is the SMILES notation for N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine?
The canonical SMILES for N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine is C1=CC(N(c2ccc3c4ccccc4n(-c4ccccc4)c3c2)C2C=C(c3ccccc3)C=CC2)C2C(=C1)c1c3ccccc3cc3cccc2c13.
What is the InChIKey of N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine?
The InChIKey is VLZCUIVXDKNOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-3-14-33(15-4-1)34-17-11-21-38(31-34)51(39-28-29-42-41-23-9-10-26-45(41)52(47(42)32-39)37-19-5-2-6-20-37)46-27-13-25-44-49(46)43-24-12-18-36-30-35-16-7-8-22-40(35)50(44)48(36)43/h1-20,22-32,38,46,49H,21H2.
What are the key properties of N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine?
N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine has a molecular weight of 664.85 g/mol, XLogP of 12.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-9-phenyl-N-(3-phenylcyclohexa-2,4-dien-1-yl)carbazol-2-amine is sourced from PubChem (CID 167281741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).