9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole

C52H36N2 — CID 155471818

IUPAC9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole
SMILESC1=Cc2c(n(-c3ccc4ccccc4c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5C4C=c5ccc6c(ccc7ccccc76)c5=CC4)cc23)CC1
InChIInChI=1S/C52H36N2/c1-2-11-35-29-39(22-17-33(35)9-1)53-49-15-7-5-13-45(49)47-31-36(20-27-51(47)53)37-21-28-52-48(32-37)46-14-6-8-16-50(46)54(52)40-23-26-42-38(30-40)19-25-43-41-12-4-3-10-34(41)18-24-44(42)43/h1-6,8-14,16-22,24-32,40H,7,15,23H2
InChIKeyFBFPLXZLORJFHO-UHFFFAOYSA-N
MW688.87 g/mol
LogP12.03
Rot. Bonds3

About 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole

9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole (PubChem CID 155471818) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole
PubChem CID155471818
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole
SMILESC1=Cc2c(n(-c3ccc4ccccc4c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5C4C=c5ccc6c(ccc7ccccc76)c5=CC4)cc23)CC1
InChIInChI=1S/C52H36N2/c1-2-11-35-29-39(22-17-33(35)9-1)53-49-15-7-5-13-45(49)47-31-36(20-27-51(47)53)37-21-28-52-48(32-37)46-14-6-8-16-50(46)54(52)40-23-26-42-38(30-40)19-25-43-41-12-4-3-10-34(41)18-24-44(42)43/h1-6,8-14,16-22,24-32,40H,7,15,23H2
InChIKeyFBFPLXZLORJFHO-UHFFFAOYSA-N
XLogP12.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(9-phenylphenanthren-2-yl)-1,2-dihydrocarbazole
CID 144976799
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
2-[7-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazol-9-yl]phenanthren-4-yl]benzenethiol
CID 129054614
6-[10-[6-(9-phenyl-7,8-dihydrocarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]benzo[c]carbazol-7-yl]benzene-1,2,3,4,5-pentol
CID 144568695
3,6-dinaphthalen-2-yl-9-phenanthren-2-ylcarbazole
CID 177074724
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9-[6-(3,4-dihydrocarbazol-9-yl)-9-(3-methylphenyl)-10-naphthalen-2-yl-2,3-dihydroanthracen-2-yl]-3,4-dihydrocarbazole
CID 70930491
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-dimethylanthracen-2-yl]carbazole
CID 88673510
2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 167045813

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole?
The IUPAC name of 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole (CID 155471818) is 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole.
What is the SMILES notation for 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole?
The canonical SMILES for 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole is C1=Cc2c(n(-c3ccc4ccccc4c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5C4C=c5ccc6c(ccc7ccccc76)c5=CC4)cc23)CC1.
What is the InChIKey of 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole?
The InChIKey is FBFPLXZLORJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-2-11-35-29-39(22-17-33(35)9-1)53-49-15-7-5-13-45(49)47-31-36(20-27-51(47)53)37-21-28-52-48(32-37)46-14-6-8-16-50(46)54(52)40-23-26-42-38(30-40)19-25-43-41-12-4-3-10-34(41)18-24-44(42)43/h1-6,8-14,16-22,24-32,40H,7,15,23H2.
What are the key properties of 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole?
9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole has a molecular weight of 688.87 g/mol, XLogP of 12.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydrochrysen-2-yl)-3-(9-naphthalen-2-yl-7,8-dihydrocarbazol-3-yl)carbazole is sourced from PubChem (CID 155471818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).