10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole

C70H46N2O — CID 134223319

IUPAC10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C70H46N2O/c1-69(2)59-27-15-12-25-50(59)53-39-56-54-36-43(30-34-63(54)71(65(56)41-61(53)69)47-22-10-5-11-23-47)44-31-35-64-55(37-44)57-40-58-52-26-14-17-29-67(52)73-68(58)42-66(57)72(64)48-32-33-51-49-24-13-16-28-60(49)70(62(51)38-48,45-18-6-3-7-19-45)46-20-8-4-9-21-46/h3-42H,1-2H3
InChIKeyKGIABSUFCWSSFL-UHFFFAOYSA-N
MW931.15 g/mol
LogP18.12
Rot. Bonds5

About 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole

10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223319) has the molecular formula C70H46N2O and a molecular weight of 931.15 g/mol. Its IUPAC name is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole
PubChem CID134223319
Molecular FormulaC70H46N2O
Molecular Weight931.15 g/mol
Exact Mass930.36
IUPAC Name10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C70H46N2O/c1-69(2)59-27-15-12-25-50(59)53-39-56-54-36-43(30-34-63(54)71(65(56)41-61(53)69)47-22-10-5-11-23-47)44-31-35-64-55(37-44)57-40-58-52-26-14-17-29-67(52)73-68(58)42-66(57)72(64)48-32-33-51-49-24-13-16-28-60(49)70(62(51)38-48,45-18-6-3-7-19-45)46-20-8-4-9-21-46/h3-42H,1-2H3
InChIKeyKGIABSUFCWSSFL-UHFFFAOYSA-N
XLogP18.12
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.15
LogP ≤ 518.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-fluorocarbazol-9-yl)benzonitrile
CID 129291104
3-(9-Fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(6-fluoro-[1]benzofuro[3,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129291269
2,8-Di(9H-carbazol-9-yl)dibenzo[b,d]furan
CID 59348257
N-([1,1'-biphenyl]-4-yl)-3'-(9H-carbazol-9-yl)-N-(4-(dibenzo[b,d]furan-4-yl)phenyl)-[1,1'-biphenyl]-4-amine
CID 118952247
3-(9'h-[9,3':6',9''-Tercarbazol]-9'-yl)-9h-xanthen-9-one
CID 121337025
N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]dibenzofuran-3-amine
CID 129085125
N-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 129085144
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-14-yl)phenyl]dibenzofuran-3-amine
CID 129123770
9-Phenyl-2-[2-(9-phenylcarbazol-2-yl)dibenzofuran-4-yl]carbazole
CID 129127331
N-(4-tert-butylphenyl)-N-(4-naphthalen-1-ylphenyl)spiro[4,26-dioxaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2,5,7,9,11,13,17,19(27),20,22,24-dodecaene-15,14'-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-12-amine
CID 129130280
19-(3,5-Diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 129141836
2-N,7-N-bis(4-ethenylphenyl)-7-N-(9-phenylcarbazol-3-yl)dibenzofuran-2,7-diamine
CID 129194522

Frequently Asked Questions

What is the IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole (CID 134223319) is 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)oc5ccccc57)ccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole?
The InChIKey is KGIABSUFCWSSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H46N2O/c1-69(2)59-27-15-12-25-50(59)53-39-56-54-36-43(30-34-63(54)71(65(56)41-61(53)69)47-22-10-5-11-23-47)44-31-35-64-55(37-44)57-40-58-52-26-14-17-29-67(52)73-68(58)42-66(57)72(64)48-32-33-51-49-24-13-16-28-60(49)70(62(51)38-48,45-18-6-3-7-19-45)46-20-8-4-9-21-46/h3-42H,1-2H3.
What are the key properties of 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole?
10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole has a molecular weight of 931.15 g/mol, XLogP of 18.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-7-(9,9-diphenylfluoren-2-yl)-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).