9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole

C46H33N — CID 70902526

IUPAC9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole
SMILESC1=Cc2ccc3cc(-c4c5c(c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccccc46)=CCCC=5)ccc3c2CC1
InChIInChI=1S/C46H33N/c1-2-12-35-30(11-1)21-22-32-29-33(25-28-36(32)35)46-41-17-5-3-15-39(41)45(40-16-4-6-18-42(40)46)31-23-26-34(27-24-31)47-43-19-9-7-13-37(43)38-14-8-10-20-44(38)47/h1,3,5,7-11,13-29H,2,4,6,12H2
InChIKeyMHQPLNVTBVSDLC-UHFFFAOYSA-N
MW599.78 g/mol
LogP10.74
Rot. Bonds3

About 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole

9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole (PubChem CID 70902526) has the molecular formula C46H33N and a molecular weight of 599.78 g/mol. Its IUPAC name is 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole
PubChem CID70902526
Molecular FormulaC46H33N
Molecular Weight599.78 g/mol
Exact Mass599.26
IUPAC Name9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole
SMILESC1=Cc2ccc3cc(-c4c5c(c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccccc46)=CCCC=5)ccc3c2CC1
InChIInChI=1S/C46H33N/c1-2-12-35-30(11-1)21-22-32-29-33(25-28-36(32)35)46-41-17-5-3-15-39(41)45(40-16-4-6-18-42(40)46)31-23-26-34(27-24-31)47-43-19-9-7-13-37(43)38-14-8-10-20-44(38)47/h1,3,5,7-11,13-29H,2,4,6,12H2
InChIKeyMHQPLNVTBVSDLC-UHFFFAOYSA-N
XLogP10.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.78
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-(5,6-dihydrotriphenylen-2-yl)phenyl]carbazole
CID 139337053
9-cyclohexa-1,5-dien-1-yl-2-(10-phenanthren-2-ylanthracen-9-yl)carbazole
CID 89189458
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
3-[9-(5,6-dihydrotriphenylen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 146258565
3-(5,6-dihydrotriphenylen-2-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 139540581
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
9-phenyl-2-(9-triphenylen-2-yl-5,6-dihydrocarbazol-3-yl)carbazole
CID 163694127
9-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]carbazole
CID 58876173
10-(9-phenylcarbazol-3-yl)-7-(4-phenylquinazolin-2-yl)-1,2-dihydrobenzo[c]carbazole
CID 165155024

Frequently Asked Questions

What is the IUPAC name of 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole (CID 70902526) is 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole is C1=Cc2ccc3cc(-c4c5c(c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)c6ccccc46)=CCCC=5)ccc3c2CC1.
What is the InChIKey of 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole?
The InChIKey is MHQPLNVTBVSDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N/c1-2-12-35-30(11-1)21-22-32-29-33(25-28-36(32)35)46-41-17-5-3-15-39(41)45(40-16-4-6-18-42(40)46)31-23-26-34(27-24-31)47-43-19-9-7-13-37(43)38-14-8-10-20-44(38)47/h1,3,5,7-11,13-29H,2,4,6,12H2.
What are the key properties of 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole?
9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole has a molecular weight of 599.78 g/mol, XLogP of 10.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[10-(5,6-dihydrophenanthren-2-yl)-2,3-dihydroanthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 70902526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).