14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C51H36N2 — CID 145370486

IUPAC14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c1)c1c2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C51H36N2/c1-51(2)43-22-12-9-20-40(43)48-44(51)32-42(50-49(48)41-21-11-14-24-46(41)53(50)36-17-7-4-8-18-36)35-27-30-39-38-19-10-13-23-45(38)52(47(39)31-35)37-28-25-34(26-29-37)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyVEHRVAJAFHLZHN-UHFFFAOYSA-N
MW676.86 g/mol
LogP13.52
Rot. Bonds4

About 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 145370486) has the molecular formula C51H36N2 and a molecular weight of 676.86 g/mol. Its IUPAC name is 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID145370486
Molecular FormulaC51H36N2
Molecular Weight676.86 g/mol
Exact Mass676.29
IUPAC Name14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESCC1(C)c2ccccc2-c2c1cc(-c1ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c1)c1c2c2ccccc2n1-c1ccccc1
InChIInChI=1S/C51H36N2/c1-51(2)43-22-12-9-20-40(43)48-44(51)32-42(50-49(48)41-21-11-14-24-46(41)53(50)36-17-7-4-8-18-36)35-27-30-39-38-19-10-13-23-45(38)52(47(39)31-35)37-28-25-34(26-29-37)33-15-5-3-6-16-33/h3-32H,1-2H3
InChIKeyVEHRVAJAFHLZHN-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.86
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

11-dibenzothiophen-2-yl-14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 145370428
3-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-(4-phenylphenyl)carbazole
CID 157365486
2-[9,9-dimethyl-2-(9-phenylcarbazol-3-yl)fluoren-4-yl]-9-phenylcarbazole
CID 157250025
12-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-7,7-dimethyl-5-(9-phenylcarbazol-3-yl)indeno[1,2-a]carbazole
CID 145370545
2-[3-(14,14-dimethyl-8-pentacyclo[11.7.1.02,7.09,21.015,20]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaenyl)phenyl]-9-phenylcarbazole
CID 130265499
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
17-(9,9-dimethylfluoren-2-yl)-6,9,11,14-tetraphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 122599868
5-(9,9-dimethylfluoren-2-yl)-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656421
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
9,9,21,21-tetramethyl-18-(4-phenylphenyl)-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635504
24,24-dimethyl-20-(4-phenylphenyl)-20-azaheptacyclo[19.11.0.02,7.08,13.014,19.023,31.025,30]dotriaconta-1(32),2,4,6,8,10,12,14,16,18,21,23(31),25,27,29-pentadecaene
CID 142363377

Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 145370486) is 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1(C)c2ccccc2-c2c1cc(-c1ccc3c4ccccc4n(-c4ccc(-c5ccccc5)cc4)c3c1)c1c2c2ccccc2n1-c1ccccc1.
What is the InChIKey of 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is VEHRVAJAFHLZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2/c1-51(2)43-22-12-9-20-40(43)48-44(51)32-42(50-49(48)41-21-11-14-24-46(41)53(50)36-17-7-4-8-18-36)35-27-30-39-38-19-10-13-23-45(38)52(47(39)31-35)37-28-25-34(26-29-37)33-15-5-3-6-16-33/h3-32H,1-2H3.
What are the key properties of 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 676.86 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-9-phenyl-11-[9-(4-phenylphenyl)carbazol-2-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 145370486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).