12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene

C67H44 — CID 159865494

IUPAC12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene
SMILESc1ccc(-c2cccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccc7c(c5C6c5ccc6ccccc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C67H44/c1-4-17-43(18-5-1)46-21-16-22-49(39-46)63-54-28-13-12-27-53(54)59-41-47(33-35-55(59)63)48-34-36-56-60(42-48)57-37-38-62-65(66(57)64(56)50-32-31-44-19-10-11-20-45(44)40-50)58-29-14-15-30-61(58)67(62,51-23-6-2-7-24-51)52-25-8-3-9-26-52/h1-42,63-64H
InChIKeyUPCRRSLUXNODKE-UHFFFAOYSA-N
MW849.09 g/mol
LogP16.86
Rot. Bonds6

About 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene

12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene (PubChem CID 159865494) has the molecular formula C67H44 and a molecular weight of 849.09 g/mol. Its IUPAC name is 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene.

Molecular Properties

Compound Name12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene
PubChem CID159865494
Molecular FormulaC67H44
Molecular Weight849.09 g/mol
Exact Mass848.34
IUPAC Name12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene
SMILESc1ccc(-c2cccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccc7c(c5C6c5ccc6ccccc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C67H44/c1-4-17-43(18-5-1)46-21-16-22-49(39-46)63-54-28-13-12-27-53(54)59-41-47(33-35-55(59)63)48-34-36-56-60(42-48)57-37-38-62-65(66(57)64(56)50-32-31-44-19-10-11-20-45(44)40-50)58-29-14-15-30-61(58)67(62,51-23-6-2-7-24-51)52-25-8-3-9-26-52/h1-42,63-64H
InChIKeyUPCRRSLUXNODKE-UHFFFAOYSA-N
XLogP16.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.09
LogP ≤ 516.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-naphthalen-1-yl-14,14-diphenyl-5-[9-(4-phenylphenyl)-9H-fluoren-3-yl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159713563
N-[3-[26,26-bis(4-phenylphenyl)-10-heptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)-3,5-diphenylaniline
CID 169023229
9-[3-(9H-fluoren-9-yl)phenyl]-9-phenylfluorene
CID 123461453
2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165150875
18-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylhexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 158525252
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
11,11-dimethyl-3-[10-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]anthracen-9-yl]benzo[b]fluorene
CID 159290426
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[11-[4-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 165150755
3,9,9-triphenylfluorene
CID 140844354

Frequently Asked Questions

What is the IUPAC name of 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene?
The IUPAC name of 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene (CID 159865494) is 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene.
What is the SMILES notation for 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene?
The canonical SMILES for 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene is c1ccc(-c2cccc(C3c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccc7c(c5C6c5ccc6ccccc6c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene?
The InChIKey is UPCRRSLUXNODKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44/c1-4-17-43(18-5-1)46-21-16-22-49(39-46)63-54-28-13-12-27-53(54)59-41-47(33-35-55(59)63)48-34-36-56-60(42-48)57-37-38-62-65(66(57)64(56)50-32-31-44-19-10-11-20-45(44)40-50)58-29-14-15-30-61(58)67(62,51-23-6-2-7-24-51)52-25-8-3-9-26-52/h1-42,63-64H.
What are the key properties of 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene?
12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene has a molecular weight of 849.09 g/mol, XLogP of 16.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-naphthalen-2-yl-7,7-diphenyl-3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-12H-indeno[1,2-c]fluorene is sourced from PubChem (CID 159865494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).