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

C63H42N2 — CID 118632210

IUPACN-[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
SMILESc1ccc(N(c2ccc(-c3ccc(N4c5c(ccc6ccccc56)-c5cccc6cccc4c56)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C63H42N2/c1-4-19-47(20-5-1)63(48-21-6-2-7-22-48)58-28-13-12-26-54(58)55-41-39-52(42-59(55)63)64(49-23-8-3-9-24-49)50-35-30-43(31-36-50)44-32-37-51(38-33-44)65-60-29-15-18-46-17-14-27-56(61(46)60)57-40-34-45-16-10-11-25-53(45)62(57)65/h1-42H
InChIKeyQBCZAABQTJCCFP-UHFFFAOYSA-N
MW827.04 g/mol
LogP16.94
Rot. Bonds7

About 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

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 (PubChem CID 118632210) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID118632210
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC NameN-[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
SMILESc1ccc(N(c2ccc(-c3ccc(N4c5c(ccc6ccccc56)-c5cccc6cccc4c56)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C63H42N2/c1-4-19-47(20-5-1)63(48-21-6-2-7-22-48)58-28-13-12-26-54(58)55-41-39-52(42-59(55)63)64(49-23-8-3-9-24-49)50-35-30-43(31-36-50)44-32-37-51(38-33-44)65-60-29-15-18-46-17-14-27-56(61(46)60)57-40-34-45-16-10-11-25-53(45)62(57)65/h1-42H
InChIKeyQBCZAABQTJCCFP-UHFFFAOYSA-N
XLogP16.94
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 129133908
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]-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline;N-[4-[3-(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]-4-phenyl-N-(4-phenylphenyl)aniline;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-phenyl-9,9'-spirobi[fluorene]-2-amine;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;N,N-diphenyl-18-[4-(N-phenylanilino)phenyl]-12-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-12-azapentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(21),2(11),3,5(10),6,8,13,15,17,19-decaen-7-amine
CID 158637517
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
N-naphthalen-1-yl-N-[4-[8-[4-(N-phenylanilino)phenyl]-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]-9,9'-spirobi[fluorene]-2-amine
CID 138655650
N-[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]-N-(3-phenylphenyl)naphthalen-1-amine
CID 129133893
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
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
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
N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-4-amine
CID 135271681
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
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
N-(9,9-diphenylfluoren-2-yl)-N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-[2-(2-naphthalen-1-ylphenyl)phenyl]-10-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 160984403

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc(-c3ccc(N4c5c(ccc6ccccc56)-c5cccc6cccc4c56)cc3)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is QBCZAABQTJCCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-4-19-47(20-5-1)63(48-21-6-2-7-22-48)58-28-13-12-26-54(58)55-41-39-52(42-59(55)63)64(49-23-8-3-9-24-49)50-35-30-43(31-36-50)44-32-37-51(38-33-44)65-60-29-15-18-46-17-14-27-56(61(46)60)57-40-34-45-16-10-11-25-53(45)62(57)65/h1-42H.
What are the key properties of 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?
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 has a molecular weight of 827.04 g/mol, XLogP of 16.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118632210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).