9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine

C56H35N5O2 — CID 126585578

IUPAC9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc4ccccc4o3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C56H35N5O2/c1-2-12-38(13-3-1)59(41-30-32-51-45(34-41)43-14-4-8-18-49(43)60(51)39-26-22-36(23-27-39)55-57-47-16-6-10-20-53(47)62-55)42-31-33-52-46(35-42)44-15-5-9-19-50(44)61(52)40-28-24-37(25-29-40)56-58-48-17-7-11-21-54(48)63-56/h1-35H
InChIKeyVFKVDRSIVCYKCJ-UHFFFAOYSA-N
MW809.93 g/mol
LogP14.97
Rot. Bonds7

About 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine

9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine (PubChem CID 126585578) has the molecular formula C56H35N5O2 and a molecular weight of 809.93 g/mol. Its IUPAC name is 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine.

Molecular Properties

Compound Name9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine
PubChem CID126585578
Molecular FormulaC56H35N5O2
Molecular Weight809.93 g/mol
Exact Mass809.28
IUPAC Name9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine
SMILESc1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc4ccccc4o3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc4ccccc4o3)cc2)cc1
InChIInChI=1S/C56H35N5O2/c1-2-12-38(13-3-1)59(41-30-32-51-45(34-41)43-14-4-8-18-49(43)60(51)39-26-22-36(23-27-39)55-57-47-16-6-10-20-53(47)62-55)42-31-33-52-46(35-42)44-15-5-9-19-50(44)61(52)40-28-24-37(25-29-40)56-58-48-17-7-11-21-54(48)63-56/h1-35H
InChIKeyVFKVDRSIVCYKCJ-UHFFFAOYSA-N
XLogP14.97
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.93
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 59500988
4-(1,3-benzoxazol-2-yl)-N-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-N-phenylaniline
CID 59500916
N-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-naphthalen-1-ylphenyl)-N-phenylcarbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-9-(4-naphthalen-2-ylphenyl)-N-phenylcarbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(3-phenylphenyl)carbazol-3-amine;N-[4-(1,3-benzoxazol-2-yl)phenyl]-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 160958614
2-[9-(4-phenylphenyl)carbazol-3-yl]-1,3-benzoxazole
CID 59228212
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167123993
2-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-f][1,3]benzoxazol-7-amine
CID 167127385
2-[4-[3-(6-naphthalen-2-ylnaphthalen-2-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 177074698
N-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-4-[9-[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]carbazol-3-yl]-N-phenylaniline
CID 174347611
2-[6-(1,3-benzoxazol-2-yl)-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-3-yl]-1,3-benzoxazole
CID 155366571
2-[6-(1,3-benzoxazol-2-yl)-9-phenylcarbazol-3-yl]-1,3-benzoxazole
CID 155366285
9-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)carbazol-3-amine
CID 167124844
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469

Frequently Asked Questions

What is the IUPAC name of 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine?
The IUPAC name of 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine (CID 126585578) is 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine.
What is the SMILES notation for 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine?
The canonical SMILES for 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine is c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc4ccccc4o3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc4ccccc4o3)cc2)cc1.
What is the InChIKey of 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine?
The InChIKey is VFKVDRSIVCYKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5O2/c1-2-12-38(13-3-1)59(41-30-32-51-45(34-41)43-14-4-8-18-49(43)60(51)39-26-22-36(23-27-39)55-57-47-16-6-10-20-53(47)62-55)42-31-33-52-46(35-42)44-15-5-9-19-50(44)61(52)40-28-24-37(25-29-40)56-58-48-17-7-11-21-54(48)63-56/h1-35H.
What are the key properties of 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine?
9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine has a molecular weight of 809.93 g/mol, XLogP of 14.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(1,3-benzoxazol-2-yl)phenyl]-N-[9-[4-(1,3-benzoxazol-2-yl)phenyl]carbazol-3-yl]-N-phenylcarbazol-3-amine is sourced from PubChem (CID 126585578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).