12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

C65H45N — CID 144990338

IUPAC12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
SMILESc1ccc(-c2cc3c4c(cccc4c2)-c2cc4ccccc4cc2N3c2ccc(C(Cc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3)cc2)cc1
InChIInChI=1S/C65H45N/c1-5-18-45(19-6-1)51-40-50-24-17-30-57-59-41-48-22-13-14-23-49(48)42-62(59)66(63(43-51)64(50)57)54-35-33-47(34-36-54)58(46-20-7-2-8-21-46)38-44-32-37-56-55-29-15-16-31-60(55)65(61(56)39-44,52-25-9-3-10-26-52)53-27-11-4-12-28-53/h1-37,39-43,58H,38H2
InChIKeyXRTQFJVCQQVZGE-UHFFFAOYSA-N
MW840.08 g/mol
LogP16.85
Rot. Bonds8

About 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (PubChem CID 144990338) has the molecular formula C65H45N and a molecular weight of 840.08 g/mol. Its IUPAC name is 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.

Molecular Properties

Compound Name12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
PubChem CID144990338
Molecular FormulaC65H45N
Molecular Weight840.08 g/mol
Exact Mass839.36
IUPAC Name12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
SMILESc1ccc(-c2cc3c4c(cccc4c2)-c2cc4ccccc4cc2N3c2ccc(C(Cc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3)cc2)cc1
InChIInChI=1S/C65H45N/c1-5-18-45(19-6-1)51-40-50-24-17-30-57-59-41-48-22-13-14-23-49(48)42-62(59)66(63(43-51)64(50)57)54-35-33-47(34-36-54)58(46-20-7-2-8-21-46)38-44-32-37-56-55-29-15-16-31-60(55)65(61(56)39-44,52-25-9-3-10-26-52)53-27-11-4-12-28-53/h1-37,39-43,58H,38H2
InChIKeyXRTQFJVCQQVZGE-UHFFFAOYSA-N
XLogP16.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.08
LogP ≤ 516.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene with MolForge

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Related Compounds

N-[7-(12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13,15,17(21),18-decaen-12-yl)-9,9-diphenylfluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 138655498
2-[2-(4-bromophenyl)-2-(4-phenylphenyl)ethyl]-9,9-diphenylfluorene
CID 144990236
9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole
CID 144639975
N-[4-[4-(12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 118632210
2-[2-(9,9-dimethylfluoren-2-yl)-2-(4-phenylphenyl)ethyl]-9,9-bis(3-fluorophenyl)-6-(4-phenylphenyl)fluorene
CID 146644661
N-methyl-9,9-diphenyl-N-[phenyl-(4-phenylphenyl)methyl]fluoren-2-amine
CID 135245500
N-[4-[8-(4-ethenylphenyl)-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl]phenyl]-N-(4-methoxyphenyl)-9,9-diphenylfluoren-2-amine
CID 118532801
4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)-N,N-diphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,2-diphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,3-diphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,4-diphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N-phenylnaphthalen-2-amine;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,3,5-triphenylaniline;N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-yl)phenyl]-N,9,9-triphenylfluoren-2-amine
CID 161454722
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
N-[4-(12-azapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-yl)phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 129133919
9,9-diphenyl-N-(6-phenylnaphthalen-2-yl)-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine;N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159629958
9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole
CID 145302856

Frequently Asked Questions

What is the IUPAC name of 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The IUPAC name of 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (CID 144990338) is 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.
What is the SMILES notation for 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The canonical SMILES for 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is c1ccc(-c2cc3c4c(cccc4c2)-c2cc4ccccc4cc2N3c2ccc(C(Cc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccccc3)cc2)cc1.
What is the InChIKey of 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
The InChIKey is XRTQFJVCQQVZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N/c1-5-18-45(19-6-1)51-40-50-24-17-30-57-59-41-48-22-13-14-23-49(48)42-62(59)66(63(43-51)64(50)57)54-35-33-47(34-36-54)58(46-20-7-2-8-21-46)38-44-32-37-56-55-29-15-16-31-60(55)65(61(56)39-44,52-25-9-3-10-26-52)53-27-11-4-12-28-53/h1-37,39-43,58H,38H2.
What are the key properties of 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?
12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene has a molecular weight of 840.08 g/mol, XLogP of 16.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-[2-(9,9-diphenylfluoren-2-yl)-1-phenylethyl]phenyl]-15-phenyl-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is sourced from PubChem (CID 144990338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).