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

C48H32N2 — CID 167281738

IUPACN-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
SMILESC1=CC(N(c2ccc3ccccc3c2)c2cccc3c2-c2cccc4cc5ccccc5c-3c24)Cc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C48H32N2/c1-2-16-35(17-3-1)50-43-22-9-8-19-39(43)40-27-26-37(30-45(40)50)49(36-25-24-31-12-4-5-13-32(31)29-36)44-23-11-21-42-47(44)41-20-10-15-34-28-33-14-6-7-18-38(33)48(42)46(34)41/h1-29,37H,30H2
InChIKeyGZJACGXGEXJZTC-UHFFFAOYSA-N
MW636.80 g/mol
LogP12.51
Rot. Bonds4

About 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

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 (PubChem CID 167281738) has the molecular formula C48H32N2 and a molecular weight of 636.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID167281738
Molecular FormulaC48H32N2
Molecular Weight636.80 g/mol
Exact Mass636.26
IUPAC NameN-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
SMILESC1=CC(N(c2ccc3ccccc3c2)c2cccc3c2-c2cccc4cc5ccccc5c-3c24)Cc2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C48H32N2/c1-2-16-35(17-3-1)50-43-22-9-8-19-39(43)40-27-26-37(30-45(40)50)49(36-25-24-31-12-4-5-13-32(31)29-36)44-23-11-21-42-47(44)41-20-10-15-34-28-33-14-6-7-18-38(33)48(42)46(34)41/h1-29,37H,30H2
InChIKeyGZJACGXGEXJZTC-UHFFFAOYSA-N
XLogP12.51
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.80
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-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)-N-phenylcarbazol-2-amine
CID 167357307
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-dibenzofuran-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-phenylcarbazol-2-amine
CID 167357236
9-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)-N-(3-phenylphenyl)carbazol-2-amine
CID 167357212
N-(4-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2,4,8,10,12,14,16,18-nonaenyl)-N-phenyl-9-(6-phenylcyclohexa-1,5-dien-1-yl)-1,2-dihydrocarbazol-2-amine
CID 167281843
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-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
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
N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)-N,11-diphenylbenzo[a]carbazol-3-amine
CID 167157236
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788792
N-naphthalen-2-yl-N,9-diphenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-5-amine
CID 129208294

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=CC(N(c2ccc3ccccc3c2)c2cccc3c2-c2cccc4cc5ccccc5c-3c24)Cc2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 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?
The InChIKey is GZJACGXGEXJZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2/c1-2-16-35(17-3-1)50-43-22-9-8-19-39(43)40-27-26-37(30-45(40)50)49(36-25-24-31-12-4-5-13-32(31)29-36)44-23-11-21-42-47(44)41-20-10-15-34-28-33-14-6-7-18-38(33)48(42)46(34)41/h1-29,37H,30H2.
What are the key properties of 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?
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 has a molecular weight of 636.80 g/mol, XLogP of 12.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167281738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).