12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C52H35N — CID 144911543

IUPAC12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESCc1ccccc1-c1cc2c(c3ccccc13)c1cc3ccccc3cc1n2-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C52H35N/c1-34-16-8-11-23-40(34)45-33-50-51(44-26-13-12-24-41(44)45)46-30-35-17-9-10-18-36(35)31-49(46)53(50)39-28-29-43-42-25-14-15-27-47(42)52(48(43)32-39,37-19-4-2-5-20-37)38-21-6-3-7-22-38/h2-33H,1H3
InChIKeyIPCVPHLXCVCFHJ-UHFFFAOYSA-N
MW673.86 g/mol
LogP13.43
Rot. Bonds4

About 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 144911543) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

Compound Name12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
PubChem CID144911543
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC Name12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
SMILESCc1ccccc1-c1cc2c(c3ccccc13)c1cc3ccccc3cc1n2-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C52H35N/c1-34-16-8-11-23-40(34)45-33-50-51(44-26-13-12-24-41(44)45)46-30-35-17-9-10-18-36(35)31-49(46)53(50)39-28-29-43-42-25-14-15-27-47(42)52(48(43)32-39,37-19-4-2-5-20-37)38-21-6-3-7-22-38/h2-33H,1H3
InChIKeyIPCVPHLXCVCFHJ-UHFFFAOYSA-N
XLogP13.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene 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

2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]-N,N-diphenylaniline
CID 118349391
2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]phenyl]-N,N-bis(4-methylphenyl)aniline;2-[2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]phenyl]-N,N-diphenylaniline;2-[2-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline
CID 161194326
2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-bis(4-methylphenyl)aniline
CID 118349395
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
CID 134551803
CID 134551803
2-[7-(7,7-diphenylbenzo[g]fluoren-9-yl)benzo[g]carbazol-9-yl]-N,N-diphenylaniline;2-[12-(9,9-diphenylfluoren-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-yl]-N,N-diphenylaniline;2-[12-(9,9-diphenylfluoren-3-yl)-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl]-N,N-diphenylaniline
CID 159485545
15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492473
5-[2-[1,2-bis(4-methoxyphenyl)ethenyl]phenyl]-7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole
CID 144911551
CID 134551919
CID 134551919
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
7-[3-[3-(3,5-dimethylphenyl)phenyl]phenyl]-10-(9,9-diphenylfluoren-2-yl)benzo[c]carbazole
CID 134370705
2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965860

Frequently Asked Questions

What is the IUPAC name of 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The IUPAC name of 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 144911543) is 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.
What is the SMILES notation for 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The canonical SMILES for 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is Cc1ccccc1-c1cc2c(c3ccccc13)c1cc3ccccc3cc1n2-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
The InChIKey is IPCVPHLXCVCFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-34-16-8-11-23-40(34)45-33-50-51(44-26-13-12-24-41(44)45)46-30-35-17-9-10-18-36(35)31-49(46)53(50)39-28-29-43-42-25-14-15-27-47(42)52(48(43)32-39,37-19-4-2-5-20-37)38-21-6-3-7-22-38/h2-33H,1H3.
What are the key properties of 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?
12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 673.86 g/mol, XLogP of 13.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(9,9-diphenylfluoren-2-yl)-9-(2-methylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 144911543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).