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

C53H38N2 — CID 167282074

IUPAC9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine
SMILESCC1C(n2c3ccccc3c3cc(N(c4ccc5ccccc5c4)C4C=C5C(=CC4)c4cccc6cc7ccccc7c5c46)ccc32)=CC=C2C=CC=CC21
InChIInChI=1S/C53H38N2/c1-33-42-16-6-4-12-35(42)22-27-49(33)55-50-20-9-8-18-45(50)47-31-41(25-28-51(47)55)54(39-23-21-34-11-2-3-13-36(34)30-39)40-24-26-44-46-19-10-15-38-29-37-14-5-7-17-43(37)53(52(38)46)48(44)32-40/h2-23,25-33,40,42H,24H2,1H3
InChIKeyIZTMPHMRSNIRMK-UHFFFAOYSA-N
MW702.90 g/mol
LogP13.80
Rot. Bonds4

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

9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine (PubChem CID 167282074) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is 9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine
PubChem CID167282074
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC Name9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine
SMILESCC1C(n2c3ccccc3c3cc(N(c4ccc5ccccc5c4)C4C=C5C(=CC4)c4cccc6cc7ccccc7c5c46)ccc32)=CC=C2C=CC=CC21
InChIInChI=1S/C53H38N2/c1-33-42-16-6-4-12-35(42)22-27-49(33)55-50-20-9-8-18-45(50)47-31-41(25-28-51(47)55)54(39-23-21-34-11-2-3-13-36(34)30-39)40-24-26-44-46-19-10-15-38-29-37-14-5-7-17-43(37)53(52(38)46)48(44)32-40/h2-23,25-33,40,42H,24H2,1H3
InChIKeyIZTMPHMRSNIRMK-UHFFFAOYSA-N
XLogP13.80
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Related Compounds

N-dibenzofuran-2-yl-9-(5-methylcyclohexa-1,3-dien-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14(19),15-octaenyl)carbazol-3-amine
CID 167282084
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
N-naphthalen-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-3-amine
CID 167357254
N-naphthalen-2-yl-N-(4-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-(2-phenylphenyl)carbazol-3-amine
CID 167357281
N-(9,9-dimethyl-2,3-dihydrofluoren-3-yl)-N,9-diphenylcarbazol-3-amine
CID 70886195
9-[4-(1,8a-dihydronaphthalen-2-yl)phenyl]-2-methyl-1-(2-methylphenyl)carbazole;2-methylnaphthalene
CID 142551564
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)-N,9-diphenylcarbazol-3-amine
CID 167357224
N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine
CID 167157236
N-[(4aS)-4a-methyl-4H-naphthalen-2-yl]-N-(3-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)-9-(2-phenylphenyl)carbazol-3-amine
CID 167281766
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)-N,9-diphenylcarbazol-3-amine
CID 167357299
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-3-amine
CID 167357291
N-(3-carbazol-9-ylphenyl)-N-methylnaphthalen-2-amine
CID 58903517

Frequently Asked Questions

What is the IUPAC name of 9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine?
The IUPAC name of 9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine (CID 167282074) is 9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine.
What is the SMILES notation for 9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine?
The canonical SMILES for 9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine is CC1C(n2c3ccccc3c3cc(N(c4ccc5ccccc5c4)C4C=C5C(=CC4)c4cccc6cc7ccccc7c5c46)ccc32)=CC=C2C=CC=CC21.
What is the InChIKey of 9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine?
The InChIKey is IZTMPHMRSNIRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-33-42-16-6-4-12-35(42)22-27-49(33)55-50-20-9-8-18-45(50)47-31-41(25-28-51(47)55)54(39-23-21-34-11-2-3-13-36(34)30-39)40-24-26-44-46-19-10-15-38-29-37-14-5-7-17-43(37)53(52(38)46)48(44)32-40/h2-23,25-33,40,42H,24H2,1H3.
What are the key properties of 9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine?
9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine has a molecular weight of 702.90 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methyl-1,8a-dihydronaphthalen-2-yl)-N-naphthalen-2-yl-N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,6,8,10,12,14,16,18-nonaenyl)carbazol-3-amine is sourced from PubChem (CID 167282074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).