7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole

C43H27IN2O — CID 59228464

IUPAC7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESIc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12
InChIInChI=1S/C43H27IN2O/c44-38-18-10-19-39-42(38)47-43(45-39)29-23-21-28(22-24-29)32-13-4-6-15-34(32)35-16-7-5-14-33(35)30-25-26-41-37(27-30)36-17-8-9-20-40(36)46(41)31-11-2-1-3-12-31/h1-27H
InChIKeyBZNBXKXRFNPZOB-UHFFFAOYSA-N
MW714.61 g/mol
LogP12.20
Rot. Bonds5

About 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole

7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole (PubChem CID 59228464) has the molecular formula C43H27IN2O and a molecular weight of 714.61 g/mol. Its IUPAC name is 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
PubChem CID59228464
Molecular FormulaC43H27IN2O
Molecular Weight714.61 g/mol
Exact Mass714.12
IUPAC Name7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
SMILESIc1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12
InChIInChI=1S/C43H27IN2O/c44-38-18-10-19-39-42(38)47-43(45-39)29-23-21-28(22-24-29)32-13-4-6-15-34(32)35-16-7-5-14-33(35)30-25-26-41-37(27-30)36-17-8-9-20-40(36)46(41)31-11-2-1-3-12-31/h1-27H
InChIKeyBZNBXKXRFNPZOB-UHFFFAOYSA-N
XLogP12.20
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.61
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-diethyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228491
2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756301
5-methyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228340
2-[4-[2-[2-[9-phenyl-6-(3-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228285
6-tert-butyl-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228286
2-[4-[9-phenyl-6-(2-phenylphenyl)carbazol-3-yl]phenyl]-1,3-benzoxazole
CID 59228242
7-tert-butyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-1,3-benzoxazole
CID 59228064
3-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 118404981
2-[4-[2-[2-[9-(4-tert-butylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 59228443
7-[4-(3-dibenzothiophen-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756251
2-[4-[3-(4-naphthalen-1-ylphenyl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 59228230
2-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59227934

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole?
The IUPAC name of 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole (CID 59228464) is 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole is Ic1cccc2nc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)oc12.
What is the InChIKey of 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole?
The InChIKey is BZNBXKXRFNPZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27IN2O/c44-38-18-10-19-39-42(38)47-43(45-39)29-23-21-28(22-24-29)32-13-4-6-15-34(32)35-16-7-5-14-33(35)30-25-26-41-37(27-30)36-17-8-9-20-40(36)46(41)31-11-2-1-3-12-31/h1-27H.
What are the key properties of 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole?
7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 714.61 g/mol, XLogP of 12.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-[4-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 59228464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).