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

C56H42N2O — CID 166031918

IUPACN-(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
SMILESCc1ccc(C(C)(C)C)cc1N(c1ccc2cc3c(cc2c1)-c1cc2cc(-n4c5ccccc5c5ccccc54)ccc2cc1-3)c1c(C)ccc2c1oc1ccccc12
InChIInChI=1S/C56H42N2O/c1-33-18-22-39(56(3,4)5)32-52(33)58(54-34(2)19-25-45-44-14-8-11-17-53(44)59-55(45)54)41-24-21-36-29-47-46-28-35-20-23-40(26-37(35)30-48(46)49(47)31-38(36)27-41)57-50-15-9-6-12-42(50)43-13-7-10-16-51(43)57/h6-32H,1-5H3
InChIKeyQAGFYSLEIZWNSD-UHFFFAOYSA-N
MW758.97 g/mol
LogP16.02
Rot. Bonds4

About 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

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 (PubChem CID 166031918) has the molecular formula C56H42N2O and a molecular weight of 758.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID166031918
Molecular FormulaC56H42N2O
Molecular Weight758.97 g/mol
Exact Mass758.33
IUPAC NameN-(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
SMILESCc1ccc(C(C)(C)C)cc1N(c1ccc2cc3c(cc2c1)-c1cc2cc(-n4c5ccccc5c5ccccc54)ccc2cc1-3)c1c(C)ccc2c1oc1ccccc12
InChIInChI=1S/C56H42N2O/c1-33-18-22-39(56(3,4)5)32-52(33)58(54-34(2)19-25-45-44-14-8-11-17-53(44)59-55(45)54)41-24-21-36-29-47-46-28-35-20-23-40(26-37(35)30-48(46)49(47)31-38(36)27-41)57-50-15-9-6-12-42(50)43-13-7-10-16-51(43)57/h6-32H,1-5H3
InChIKeyQAGFYSLEIZWNSD-UHFFFAOYSA-N
XLogP16.02
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.97
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
3-methyl-N-(2-methyl-5-phenylphenyl)-N-(16-phenyl-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 166031670
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)-N-(3,5-dimethylphenyl)dibenzofuran-4-amine
CID 166032273
N-[16,17-bis(4-tert-butylphenyl)-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaenyl]-N-(5-tert-butyl-2-methylphenyl)dibenzofuran-4-amine
CID 166032355
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)-N-phenyldibenzofuran-4-amine
CID 166032307
N-(5-tert-butyl-2-methylphenyl)-N-(2-methylphenyl)-16-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-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 166032958
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
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)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166031741
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
16-carbazol-9-yl-N-(2,5-dimethylphenyl)-N-(2-methylphenyl)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 166032432
6-N,17-N-bis(4-tert-butylphenyl)-6-N,17-N-di(dibenzofuran-4-yl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,17-diamine
CID 166033162
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C(C)(C)C)cc1N(c1ccc2cc3c(cc2c1)-c1cc2cc(-n4c5ccccc5c5ccccc54)ccc2cc1-3)c1c(C)ccc2c1oc1ccccc12.
What is the InChIKey of 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?
The InChIKey is QAGFYSLEIZWNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N2O/c1-33-18-22-39(56(3,4)5)32-52(33)58(54-34(2)19-25-45-44-14-8-11-17-53(44)59-55(45)54)41-24-21-36-29-47-46-28-35-20-23-40(26-37(35)30-48(46)49(47)31-38(36)27-41)57-50-15-9-6-12-42(50)43-13-7-10-16-51(43)57/h6-32H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 758.97 g/mol, XLogP of 16.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166031918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).