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

C63H42N2 — CID 118349391

IUPAC2-[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
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2cc3c(c4ccccc24)c2cc4ccccc4cc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C63H42N2/c1-5-23-45(24-6-1)63(46-25-7-2-8-26-46)57-35-19-17-32-51(57)52-38-37-49(41-58(52)63)65-60-40-44-22-14-13-21-43(44)39-56(60)62-54-34-16-15-31-50(54)55(42-61(62)65)53-33-18-20-36-59(53)64(47-27-9-3-10-28-47)48-29-11-4-12-30-48/h1-42H
InChIKeyWAZWELUGKUKOOH-UHFFFAOYSA-N
MW827.04 g/mol
LogP16.59
Rot. Bonds7

About 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-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 (PubChem CID 118349391) has the molecular formula C63H42N2 and a molecular weight of 827.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID118349391
Molecular FormulaC63H42N2
Molecular Weight827.04 g/mol
Exact Mass826.33
IUPAC Name2-[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
SMILESc1ccc(N(c2ccccc2)c2ccccc2-c2cc3c(c4ccccc24)c2cc4ccccc4cc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C63H42N2/c1-5-23-45(24-6-1)63(46-25-7-2-8-26-46)57-35-19-17-32-51(57)52-38-37-49(41-58(52)63)65-60-40-44-22-14-13-21-43(44)39-56(60)62-54-34-16-15-31-50(54)55(42-61(62)65)53-33-18-20-36-59(53)64(47-27-9-3-10-28-47)48-29-11-4-12-30-48/h1-42H
InChIKeyWAZWELUGKUKOOH-UHFFFAOYSA-N
XLogP16.59
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 516.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
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
2-N,2-N-bis(9,9-diphenylfluoren-2-yl)-9-naphthalen-2-yl-4-N,4-N-diphenylcarbazole-2,4-diamine
CID 154965860
2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]-N,N-bis(3-phenylphenyl)aniline;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[2-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161069792
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
N-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 161145523
N-[4-[9-(9,9-diphenylfluoren-2-yl)carbazol-2-yl]phenyl]-N,4-diphenylaniline
CID 118682510
N,9,9-triphenyl-N-[4-(5-phenylbenzo[b]carbazol-2-yl)phenyl]fluoren-2-amine
CID 139573020
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-2-yl-2,9-diphenylcarbazol-3-amine
CID 165155346
2-[4-[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-[4-[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-[4-[21-(9,9-diphenylfluoren-3-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-yl]phenyl]-N,N-diphenylaniline;2-[4-[11-(9,9-diphenylfluoren-3-yl)benzo[a]carbazol-9-yl]phenyl]-N,N-diphenylaniline;N-[2-[4-[5-(9,9-diphenylfluoren-2-yl)benzo[b]carbazol-3-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[4-[7-(9,9-diphenylfluoren-2-yl)benzo[c]carbazol-5-yl]phenyl]-N-(4-methoxyphenyl)-N-(4-methylphenyl)aniline
CID 158055047

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccccc2)c2ccccc2-c2cc3c(c4ccccc24)c2cc4ccccc4cc2n3-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 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?
The InChIKey is WAZWELUGKUKOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N2/c1-5-23-45(24-6-1)63(46-25-7-2-8-26-46)57-35-19-17-32-51(57)52-38-37-49(41-58(52)63)65-60-40-44-22-14-13-21-43(44)39-56(60)62-54-34-16-15-31-50(54)55(42-61(62)65)53-33-18-20-36-59(53)64(47-27-9-3-10-28-47)48-29-11-4-12-30-48/h1-42H.
What are the key properties of 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-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 has a molecular weight of 827.04 g/mol, XLogP of 16.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118349391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).