15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene

C53H38N2 — CID 139568482

IUPAC15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)N(c1c(-c2ccccc2)cccc1-n1c2ccccc2c2ccccc21)c1cccc2c1C3(C)c1ccccc1-2
InChIInChI=1S/C53H38N2/c1-52(2)41-25-11-7-19-35(41)40-31-32-43-51(49(40)52)55(46-29-16-24-39-36-20-8-12-26-42(36)53(43,3)48(39)46)50-34(33-17-5-4-6-18-33)23-15-30-47(50)54-44-27-13-9-21-37(44)38-22-10-14-28-45(38)54/h4-32H,1-3H3
InChIKeyDKOISZDCSBFXJE-UHFFFAOYSA-N
MW702.90 g/mol
LogP13.87
Rot. Bonds3

About 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene

15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene (PubChem CID 139568482) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene.

Molecular Properties

Compound Name15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene
PubChem CID139568482
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC Name15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)N(c1c(-c2ccccc2)cccc1-n1c2ccccc2c2ccccc21)c1cccc2c1C3(C)c1ccccc1-2
InChIInChI=1S/C53H38N2/c1-52(2)41-25-11-7-19-35(41)40-31-32-43-51(49(40)52)55(46-29-16-24-39-36-20-8-12-26-42(36)53(43,3)48(39)46)50-34(33-17-5-4-6-18-33)23-15-30-47(50)54-44-27-13-9-21-37(44)38-22-10-14-28-45(38)54/h4-32H,1-3H3
InChIKeyDKOISZDCSBFXJE-UHFFFAOYSA-N
XLogP13.87
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene 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

1,4,4-trimethyl-15-[4-(4-phenylnaphthalen-1-yl)phenyl]-15-azaheptacyclo[14.10.1.02,14.03,11.05,10.020,27.021,26]heptacosa-2(14),3(11),5,7,9,12,16,18,20(27),21,23,25-dodecaene
CID 166803731
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 168789356
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
6-(1-methyl-17-phenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaen-13-yl)spiro[14-azaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene-26,9'-fluorene]
CID 170117443
9-(9,9-dimethylfluoren-1-yl)-3-[3-(2-methylphenyl)phenyl]carbazole;ethane;1-methyl-4-phenylbenzene;3,9,9-trimethylfluorene
CID 144639950
5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole
CID 155636706
5-(9,9-dimethylfluoren-1-yl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 171414844
5-(3-carbazol-9-yl-4-phenylphenyl)-7,7-dimethylindeno[2,1-b]carbazole
CID 126592248
N-[4-[3-(2-carbazol-9-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 167322095
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 58059187
20,20-dimethyl-4-azahexacyclo[11.7.0.02,4.03,11.05,10.014,19]icosa-1(13),2,5,7,9,11,14,16,18-nonaene
CID 90278208

Frequently Asked Questions

What is the IUPAC name of 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?
The IUPAC name of 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene (CID 139568482) is 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene.
What is the SMILES notation for 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?
The canonical SMILES for 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene is CC1(C)c2ccccc2-c2ccc3c(c21)N(c1c(-c2ccccc2)cccc1-n1c2ccccc2c2ccccc21)c1cccc2c1C3(C)c1ccccc1-2.
What is the InChIKey of 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?
The InChIKey is DKOISZDCSBFXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2/c1-52(2)41-25-11-7-19-35(41)40-31-32-43-51(49(40)52)55(46-29-16-24-39-36-20-8-12-26-42(36)53(43,3)48(39)46)50-34(33-17-5-4-6-18-33)23-15-30-47(50)54-44-27-13-9-21-37(44)38-22-10-14-28-45(38)54/h4-32H,1-3H3.
What are the key properties of 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene?
15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene has a molecular weight of 702.90 g/mol, XLogP of 13.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2-carbazol-9-yl-6-phenylphenyl)-1,12,12-trimethyl-15-azaheptacyclo[14.10.1.02,14.05,13.06,11.020,27.021,26]heptacosa-2(14),3,5(13),6,8,10,16,18,20(27),21,23,25-dodecaene is sourced from PubChem (CID 139568482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).