[4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone

C78H48N6O4 — CID 162785786

IUPAC[4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccc(C(=O)c2ccc(-n3c4ccccc4c4cc(-c5ccc(N6c7ccccc7Oc7ccccc76)nc5)ccc43)cc2)cc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)nc4)ccc32)cc1
InChIInChI=1S/C78H48N6O4/c85-77(51-29-37-57(38-30-51)81-63-15-3-1-13-59(63)61-45-53(33-41-65(61)81)55-35-43-75(79-47-55)83-67-17-5-9-21-71(67)87-72-22-10-6-18-68(72)83)49-25-27-50(28-26-49)78(86)52-31-39-58(40-32-52)82-64-16-4-2-14-60(64)62-46-54(34-42-66(62)82)56-36-44-76(80-48-56)84-69-19-7-11-23-73(69)88-74-24-12-8-20-70(74)84/h1-48H
InChIKeyWHNWPCDGDDILQN-UHFFFAOYSA-N
MW1133.28 g/mol
LogP19.62
Rot. Bonds10

About [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone

[4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone (PubChem CID 162785786) has the molecular formula C78H48N6O4 and a molecular weight of 1133.28 g/mol. Its IUPAC name is [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone
PubChem CID162785786
Molecular FormulaC78H48N6O4
Molecular Weight1133.28 g/mol
Exact Mass1132.37
IUPAC Name[4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone
SMILESO=C(c1ccc(C(=O)c2ccc(-n3c4ccccc4c4cc(-c5ccc(N6c7ccccc7Oc7ccccc76)nc5)ccc43)cc2)cc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)nc4)ccc32)cc1
InChIInChI=1S/C78H48N6O4/c85-77(51-29-37-57(38-30-51)81-63-15-3-1-13-59(63)61-45-53(33-41-65(61)81)55-35-43-75(79-47-55)83-67-17-5-9-21-71(67)87-72-22-10-6-18-68(72)83)49-25-27-50(28-26-49)78(86)52-31-39-58(40-32-52)82-64-16-4-2-14-60(64)62-46-54(34-42-66(62)82)56-36-44-76(80-48-56)84-69-19-7-11-23-73(69)88-74-24-12-8-20-70(74)84/h1-48H
InChIKeyWHNWPCDGDDILQN-UHFFFAOYSA-N
XLogP19.62
TPSA94.72 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.28
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone with MolForge

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Related Compounds

11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;methane
CID 162033819
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
3-(9-phenylcarbazol-3-yl)-9-(5-phenyl-2-pyridinyl)carbazole
CID 118581881
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
9-(4-carbazol-9-ylphenyl)-3-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]acridin-9-one;10-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]phenoxazine
CID 161300405
11-[3-[9-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158285187
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
10-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795391
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 160861876
3-[9-[5-(4-dibenzofuran-2-ylphenyl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole
CID 90086397

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone?
The IUPAC name of [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone (CID 162785786) is [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone.
What is the SMILES notation for [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone?
The canonical SMILES for [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone is O=C(c1ccc(C(=O)c2ccc(-n3c4ccccc4c4cc(-c5ccc(N6c7ccccc7Oc7ccccc76)nc5)ccc43)cc2)cc1)c1ccc(-n2c3ccccc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)nc4)ccc32)cc1.
What is the InChIKey of [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone?
The InChIKey is WHNWPCDGDDILQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H48N6O4/c85-77(51-29-37-57(38-30-51)81-63-15-3-1-13-59(63)61-45-53(33-41-65(61)81)55-35-43-75(79-47-55)83-67-17-5-9-21-71(67)87-72-22-10-6-18-68(72)83)49-25-27-50(28-26-49)78(86)52-31-39-58(40-32-52)82-64-16-4-2-14-60(64)62-46-54(34-42-66(62)82)56-36-44-76(80-48-56)84-69-19-7-11-23-73(69)88-74-24-12-8-20-70(74)84/h1-48H.
What are the key properties of [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone?
[4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone has a molecular weight of 1133.28 g/mol, XLogP of 19.62, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone is sourced from PubChem (CID 162785786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).