N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine

C48H34N2 — CID 167282097

IUPACN-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine
SMILESC1=Cc2c(cccc2N(c2ccc3c(c2)-c2cccc4cc5c(c-3c24)CCC=C5)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C48H34N2/c1-2-16-34(17-3-1)50-45-22-9-8-20-39(45)40-26-24-36(30-46(40)50)49(44-23-11-14-31-12-4-6-18-37(31)44)35-25-27-42-43(29-35)41-21-10-15-33-28-32-13-5-7-19-38(32)48(42)47(33)41/h1-3,5-6,8-11,13-18,20-30H,4,7,12,19H2
InChIKeyFQNCOYWXNUGLBF-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.97
Rot. Bonds4

About N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine

N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine (PubChem CID 167282097) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine
PubChem CID167282097
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC NameN-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine
SMILESC1=Cc2c(cccc2N(c2ccc3c(c2)-c2cccc4cc5c(c-3c24)CCC=C5)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)CC1
InChIInChI=1S/C48H34N2/c1-2-16-34(17-3-1)50-45-22-9-8-20-39(45)40-26-24-36(30-46(40)50)49(44-23-11-14-31-12-4-6-18-37(31)44)35-25-27-42-43(29-35)41-21-10-15-33-28-32-13-5-7-19-38(32)48(42)47(33)41/h1-3,5-6,8-11,13-18,20-30H,4,7,12,19H2
InChIKeyFQNCOYWXNUGLBF-UHFFFAOYSA-N
XLogP12.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 167222301
N-dibenzothiophen-4-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 167357163
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-dibenzothiophen-3-yl-3-methyl-N-(6-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-1-phenyl-2-[(Z)-prop-1-enyl]indol-5-amine
CID 167282143
N-dibenzothiophen-1-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-phenylcarbazol-2-amine
CID 167357300
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-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-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
1-N-(5,6-dihydronaphthalen-2-yl)-3-N-naphthalen-1-yl-5-(9-phenylcarbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 88873467
N-naphtho[1,2-b][1]benzothiol-7-yl-N,7-diphenyl-3,4-dihydrobenzo[c]carbazol-10-amine
CID 163812576
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
N-dibenzothiophen-3-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 167357245

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine (CID 167282097) is N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine is C1=Cc2c(cccc2N(c2ccc3c(c2)-c2cccc4cc5c(c-3c24)CCC=C5)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)CC1.
What is the InChIKey of N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine?
The InChIKey is FQNCOYWXNUGLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-2-16-34(17-3-1)50-45-22-9-8-20-39(45)40-26-24-36(30-46(40)50)49(44-23-11-14-31-12-4-6-18-37(31)44)35-25-27-42-43(29-35)41-21-10-15-33-28-32-13-5-7-19-38(32)48(42)47(33)41/h1-3,5-6,8-11,13-18,20-30H,4,7,12,19H2.
What are the key properties of N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine?
N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine has a molecular weight of 638.81 g/mol, XLogP of 12.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydronaphthalen-1-yl)-N-(5-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14(19),15-nonaenyl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 167282097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).