7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine

C58H39N5 — CID 163733291

IUPAC7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccn6)cc5)ccc43)nc3cc(-c4ccccc4)cc1c23
InChIInChI=1S/C58H39N5/c1-58(2)47-19-9-6-18-44(47)56-55-48(58)34-40(36-14-4-3-5-15-36)35-50(55)60-57(61-56)63-52-22-11-8-17-43(52)46-33-39(26-30-54(46)63)38-25-29-53-45(32-38)42-16-7-10-21-51(42)62(53)41-27-23-37(24-28-41)49-20-12-13-31-59-49/h3-35H,1-2H3
InChIKeyLBLXASNUVPHKLZ-UHFFFAOYSA-N
MW805.99 g/mol
LogP14.53
Rot. Bonds5

About 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine

7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine (PubChem CID 163733291) has the molecular formula C58H39N5 and a molecular weight of 805.99 g/mol. Its IUPAC name is 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine.

Molecular Properties

Compound Name7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine
PubChem CID163733291
Molecular FormulaC58H39N5
Molecular Weight805.99 g/mol
Exact Mass805.32
IUPAC Name7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccn6)cc5)ccc43)nc3cc(-c4ccccc4)cc1c23
InChIInChI=1S/C58H39N5/c1-58(2)47-19-9-6-18-44(47)56-55-48(58)34-40(36-14-4-3-5-15-36)35-50(55)60-57(61-56)63-52-22-11-8-17-43(52)46-33-39(26-30-54(46)63)38-25-29-53-45(32-38)42-16-7-10-21-51(42)62(53)41-27-23-37(24-28-41)49-20-12-13-31-59-49/h3-35H,1-2H3
InChIKeyLBLXASNUVPHKLZ-UHFFFAOYSA-N
XLogP14.53
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.99
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-dimethyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[e]perimidine
CID 147523957
3-[9-(9,9-dimethylfluoren-3-yl)carbazol-3-yl]-9-(3-phenyl-5-pyridin-2-ylphenyl)carbazole
CID 118014196
4-[9-(7,7-dimethylbenzo[e]perimidin-2-yl)carbazol-3-yl]-N,N-diphenylaniline
CID 149318633
20,20-dimethyl-11-[3-[9-(4-tritylphenyl)carbazol-3-yl]carbazol-9-yl]-10,12-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14,16,18-decaene
CID 163979273
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-2-ylphenyl)fluoren-2-amine
CID 71248523
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
3-[4-(9,9-dimethylfluoren-2-yl)-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]-9-(4-methylphenyl)carbazole
CID 137401866
9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-1,2,3-triphenylpyrrolo[2,3-b]carbazole;1,2,3-triphenyl-9-[4-(4-pyridin-2-ylphenyl)quinazolin-2-yl]pyrrolo[2,3-b]carbazole
CID 159357327
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4,6-diphenylpyrimidin-2-yl)carbazole
CID 58511641
3-[9-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]-9-(9,9-dimethylfluoren-2-yl)-6-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]carbazole
CID 160991667
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine?
The IUPAC name of 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine (CID 163733291) is 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine.
What is the SMILES notation for 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine?
The canonical SMILES for 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine is CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccn6)cc5)ccc43)nc3cc(-c4ccccc4)cc1c23.
What is the InChIKey of 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine?
The InChIKey is LBLXASNUVPHKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N5/c1-58(2)47-19-9-6-18-44(47)56-55-48(58)34-40(36-14-4-3-5-15-36)35-50(55)60-57(61-56)63-52-22-11-8-17-43(52)46-33-39(26-30-54(46)63)38-25-29-53-45(32-38)42-16-7-10-21-51(42)62(53)41-27-23-37(24-28-41)49-20-12-13-31-59-49/h3-35H,1-2H3.
What are the key properties of 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine?
7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine has a molecular weight of 805.99 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-5-phenyl-2-[3-[9-(4-pyridin-2-ylphenyl)carbazol-3-yl]carbazol-9-yl]benzo[e]perimidine is sourced from PubChem (CID 163733291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).