2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

C51H35N3O — CID 167045813

IUPAC2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESC1=Cc2c(n(-c3ccc4c(ccc5ccc6c(c54)OC(c4ccccc4)N6)c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CC1
InChIInChI=1S/C51H35N3O/c1-3-11-33(12-4-1)51-52-44-26-21-32-19-20-36-29-38(24-25-39(36)49(32)50(44)55-51)54-46-18-10-8-16-41(46)43-31-35(23-28-48(43)54)34-22-27-47-42(30-34)40-15-7-9-17-45(40)53(47)37-13-5-2-6-14-37/h1-9,11-17,19-31,51-52H,10,18H2
InChIKeyGJWCQHZIWLZAFC-UHFFFAOYSA-N
MW705.86 g/mol
LogP13.16
Rot. Bonds4

About 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole

2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (PubChem CID 167045813) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.

Molecular Properties

Compound Name2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
PubChem CID167045813
Molecular FormulaC51H35N3O
Molecular Weight705.86 g/mol
Exact Mass705.28
IUPAC Name2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
SMILESC1=Cc2c(n(-c3ccc4c(ccc5ccc6c(c54)OC(c4ccccc4)N6)c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CC1
InChIInChI=1S/C51H35N3O/c1-3-11-33(12-4-1)51-52-44-26-21-32-19-20-36-29-38(24-25-39(36)49(32)50(44)55-51)54-46-18-10-8-16-41(46)43-31-35(23-28-48(43)54)34-22-27-47-42(30-34)40-15-7-9-17-45(40)53(47)37-13-5-2-6-14-37/h1-9,11-17,19-31,51-52H,10,18H2
InChIKeyGJWCQHZIWLZAFC-UHFFFAOYSA-N
XLogP13.16
TPSA31.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 513.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-9-(7-phenylindolo[2,3-b]carbazol-5-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 126614495
2-[7-[3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazol-9-yl]phenanthren-4-yl]benzenethiol
CID 129054614
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
2-cyclohexa-2,4-dien-1-yl-9-(9-phenylcarbazol-3-yl)-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole
CID 155108541
2-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2,3-dihydro-[1,3]oxazolo[4,5-c]carbazole
CID 118228554
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
2-phenyl-5-[4-(2-phenyl-7-pyridin-4-yl-8,9-dihydroindolo[2,3-b]carbazol-5-yl)phenyl]-7-pyridin-4-ylindolo[2,3-b]carbazole
CID 170205076
9-[6-(1,2-dihydrocarbazol-9-yl)-9,10-diphenylanthracen-2-yl]carbazole
CID 89110822
3-[11-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenylindolo[2,3-a]carbazol-2-yl]-11-[3-(1,2-dihydrocarbazol-9-yl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 170317164

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The IUPAC name of 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole (CID 167045813) is 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole.
What is the SMILES notation for 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The canonical SMILES for 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is C1=Cc2c(n(-c3ccc4c(ccc5ccc6c(c54)OC(c4ccccc4)N6)c3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)CC1.
What is the InChIKey of 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
The InChIKey is GJWCQHZIWLZAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O/c1-3-11-33(12-4-1)51-52-44-26-21-32-19-20-36-29-38(24-25-39(36)49(32)50(44)55-51)54-46-18-10-8-16-41(46)43-31-35(23-28-48(43)54)34-22-27-47-42(30-34)40-15-7-9-17-45(40)53(47)37-13-5-2-6-14-37/h1-9,11-17,19-31,51-52H,10,18H2.
What are the key properties of 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole?
2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole has a molecular weight of 705.86 g/mol, XLogP of 13.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[6-(9-phenylcarbazol-3-yl)-1,2-dihydrocarbazol-9-yl]-2,3-dihydronaphtho[2,1-g][1,3]benzoxazole is sourced from PubChem (CID 167045813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).