N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine

C56H46N2 — CID 171728078

IUPACN-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c2c(C(C)(C)C)ccc3ccccc23)cc1
InChIInChI=1S/C56H46N2/c1-55(2,3)40-22-26-41(27-23-40)57(54-44-14-8-7-13-35(44)21-28-51(54)56(4,5)6)42-24-19-36-31-47-49(33-38(36)29-42)48-32-37-20-25-43(30-39(37)34-50(47)48)58-52-17-11-9-15-45(52)46-16-10-12-18-53(46)58/h7-34H,1-6H3
InChIKeyYQDLNPIXFLUWOG-UHFFFAOYSA-N
MW747.00 g/mol
LogP15.96
Rot. Bonds4

About N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine

N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine (PubChem CID 171728078) has the molecular formula C56H46N2 and a molecular weight of 747.00 g/mol. Its IUPAC name is N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine.

Molecular Properties

Compound NameN-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
PubChem CID171728078
Molecular FormulaC56H46N2
Molecular Weight747.00 g/mol
Exact Mass746.37
IUPAC NameN-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
SMILESCC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c2c(C(C)(C)C)ccc3ccccc23)cc1
InChIInChI=1S/C56H46N2/c1-55(2,3)40-22-26-41(27-23-40)57(54-44-14-8-7-13-35(44)21-28-51(54)56(4,5)6)42-24-19-36-31-47-49(33-38(36)29-42)48-32-37-20-25-43(30-39(37)34-50(47)48)58-52-17-11-9-15-45(52)46-16-10-12-18-53(46)58/h7-34H,1-6H3
InChIKeyYQDLNPIXFLUWOG-UHFFFAOYSA-N
XLogP15.96
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.00
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-16-carbazol-9-yl-N-(1-phenylnaphthalen-2-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171728159
N-(2-tert-butylphenyl)-16-carbazol-9-yl-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166033573
16-carbazol-9-yl-N-phenyl-N-(2-phenylnaphthalen-1-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171729097
N-(2-tert-butylnaphthalen-1-yl)-N-(4-methylphenyl)-17-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 171728308
14-tert-butyl-6,22-di(carbazol-9-yl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene;14-tert-butyl-6-N,6-N,22-N,22-N-tetrakis(4-tert-butylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine;14-tert-butyl-6-N,6-N,22-N,22-N-tetraphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12,14,16(27),17(26),18,20,22,24-tridecaene-6,22-diamine
CID 158850592
17-(3,6-ditert-butylcarbazol-9-yl)-N-(2-methylphenyl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032158
6-tert-butyl-N-(3-tert-butylphenyl)-N-(16-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)dibenzofuran-4-amine
CID 166031698
9-(3,5-ditert-butylphenyl)-N,N-di(phenanthren-2-yl)carbazol-3-amine
CID 162452335
N,N-bis(5-tert-butyl-2-methylphenyl)-17-(3,6-ditert-butylcarbazol-9-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031875
9-N,10-N-bis(4-tert-butylphenyl)-9-N,10-N-dinaphthalen-2-ylanthracene-9,10-diamine
CID 59133433
16-carbazol-9-yl-N-phenyl-N-(3-propan-2-ylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032042
N-(5-tert-butyl-2-methylphenyl)-N-(17-carbazol-9-yl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-3-methyldibenzofuran-4-amine
CID 166031918

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
The IUPAC name of N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine (CID 171728078) is N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine.
What is the SMILES notation for N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
The canonical SMILES for N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine is CC(C)(C)c1ccc(N(c2ccc3cc4c(cc3c2)-c2cc3ccc(-n5c6ccccc6c6ccccc65)cc3cc2-4)c2c(C(C)(C)C)ccc3ccccc23)cc1.
What is the InChIKey of N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
The InChIKey is YQDLNPIXFLUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N2/c1-55(2,3)40-22-26-41(27-23-40)57(54-44-14-8-7-13-35(44)21-28-51(54)56(4,5)6)42-24-19-36-31-47-49(33-38(36)29-42)48-32-37-20-25-43(30-39(37)34-50(47)48)58-52-17-11-9-15-45(52)46-16-10-12-18-53(46)58/h7-34H,1-6H3.
What are the key properties of N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine?
N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine has a molecular weight of 747.00 g/mol, XLogP of 15.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylnaphthalen-1-yl)-N-(4-tert-butylphenyl)-16-carbazol-9-ylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine is sourced from PubChem (CID 171728078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).