3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole

C66H41N — CID 58988845

IUPAC3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7ccccc7c6-c6ccccc6)ccc5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H41N/c1-5-16-42(17-6-1)48-32-36-60-58(40-48)59-41-49(33-37-61(59)67(60)51-22-11-4-12-23-51)46-28-29-47-39-50(31-30-45(47)38-46)52-34-35-57-64-53(52)26-15-27-56(64)65-62(43-18-7-2-8-19-43)54-24-13-14-25-55(54)63(66(57)65)44-20-9-3-10-21-44/h1-41H
InChIKeyYKFACASVVVNBTC-UHFFFAOYSA-N
MW848.06 g/mol
LogP18.23
Rot. Bonds6

About 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole

3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole (PubChem CID 58988845) has the molecular formula C66H41N and a molecular weight of 848.06 g/mol. Its IUPAC name is 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole.

Molecular Properties

Compound Name3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole
PubChem CID58988845
Molecular FormulaC66H41N
Molecular Weight848.06 g/mol
Exact Mass847.32
IUPAC Name3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7ccccc7c6-c6ccccc6)ccc5c4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H41N/c1-5-16-42(17-6-1)48-32-36-60-58(40-48)59-41-49(33-37-61(59)67(60)51-22-11-4-12-23-51)46-28-29-47-39-50(31-30-45(47)38-46)52-34-35-57-64-53(52)26-15-27-56(64)65-62(43-18-7-2-8-19-43)54-24-13-14-25-55(54)63(66(57)65)44-20-9-3-10-21-44/h1-41H
InChIKeyYKFACASVVVNBTC-UHFFFAOYSA-N
XLogP18.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.06
LogP ≤ 518.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)-9-phenyl-6-(7,8,9,10-tetraphenylfluoranthen-3-yl)carbazole
CID 58988745
3-(4-naphthalen-2-ylphenyl)-7,12-diphenylbenzo[k]fluoranthene
CID 140717774
3-[9-[4-(3-fluoranthen-3-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71291349
3,6-dinaphthalen-1-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;3,6-dinaphthalen-2-yl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]carbazole;9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 161091193
7,12-diphenyl-3-[3-(4-phenylphenyl)phenyl]benzo[k]fluoranthene;ethane
CID 143739700
9-phenyl-2-[8-(9-phenylcarbazol-2-yl)-10-(6-phenylnaphthalen-2-yl)anthracen-1-yl]carbazole
CID 155334848
3-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-7,12-diphenylbenzo[k]fluoranthene
CID 58988736
9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
9-phenyl-3-[8-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)anthracen-1-yl]carbazole
CID 155333092
3-[6-[4-(fluoromethyl)phenyl]naphthalen-2-yl]-7,12-diphenylbenzo[k]fluoranthene
CID 118579663
3-[10-anthracen-2-yl-8-(9-phenylcarbazol-3-yl)anthracen-1-yl]-9-phenylcarbazole
CID 155333639
7,8,9,10-tetraphenyl-3-[10-(7,8,9,10-tetraphenylfluoranthen-3-yl)anthracen-9-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[4-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-1-yl]fluoranthene;7,8,9,10-tetraphenyl-3-[6-(7,8,9,10-tetraphenylfluoranthen-3-yl)naphthalen-2-yl]fluoranthene
CID 161027167

Frequently Asked Questions

What is the IUPAC name of 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole?
The IUPAC name of 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole (CID 58988845) is 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole.
What is the SMILES notation for 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole?
The canonical SMILES for 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5cc(-c6ccc7c8c(cccc68)-c6c-7c(-c7ccccc7)c7ccccc7c6-c6ccccc6)ccc5c4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole?
The InChIKey is YKFACASVVVNBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H41N/c1-5-16-42(17-6-1)48-32-36-60-58(40-48)59-41-49(33-37-61(59)67(60)51-22-11-4-12-23-51)46-28-29-47-39-50(31-30-45(47)38-46)52-34-35-57-64-53(52)26-15-27-56(64)65-62(43-18-7-2-8-19-43)54-24-13-14-25-55(54)63(66(57)65)44-20-9-3-10-21-44/h1-41H.
What are the key properties of 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole?
3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole has a molecular weight of 848.06 g/mol, XLogP of 18.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(7,12-diphenylbenzo[k]fluoranthen-3-yl)naphthalen-2-yl]-6,9-diphenylcarbazole is sourced from PubChem (CID 58988845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).