8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine

C53H37N5O — CID 145357904

IUPAC8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine
SMILESNc1ccc2c(c1OCc1ccccc1)c1cccc(-n3c4ccccc4c4ccccc43)c1n2-c1nc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C53H37N5O/c54-43-31-32-48-50(52(43)59-34-35-15-4-1-5-16-35)42-23-14-26-49(57-46-24-12-10-21-40(46)41-22-11-13-25-47(41)57)51(42)58(48)53-55-44(38-19-8-3-9-20-38)33-45(56-53)39-29-27-37(28-30-39)36-17-6-2-7-18-36/h1-33H,34,54H2
InChIKeyRFVPPDGVLOVDNQ-UHFFFAOYSA-N
MW759.91 g/mol
LogP12.83
Rot. Bonds8

About 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine

8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine (PubChem CID 145357904) has the molecular formula C53H37N5O and a molecular weight of 759.91 g/mol. Its IUPAC name is 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine.

Molecular Properties

Compound Name8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine
PubChem CID145357904
Molecular FormulaC53H37N5O
Molecular Weight759.91 g/mol
Exact Mass759.30
IUPAC Name8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine
SMILESNc1ccc2c(c1OCc1ccccc1)c1cccc(-n3c4ccccc4c4ccccc43)c1n2-c1nc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C53H37N5O/c54-43-31-32-48-50(52(43)59-34-35-15-4-1-5-16-35)42-23-14-26-49(57-46-24-12-10-21-40(46)41-22-11-13-25-47(41)57)51(42)58(48)53-55-44(38-19-8-3-9-20-38)33-45(56-53)39-29-27-37(28-30-39)36-17-6-2-7-18-36/h1-33H,34,54H2
InChIKeyRFVPPDGVLOVDNQ-UHFFFAOYSA-N
XLogP12.83
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.91
LogP ≤ 512.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-triphenylen-1-ylcarbazole
CID 88559195
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 70851555
5,11-diphenyl-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255412
5-phenyl-11-(4-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole
CID 170255419
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-5-phenylindolo[3,2-c]carbazole
CID 161105054
5-[9-(4,6-diphenylpyrimidin-2-yl)-8-(1-methylcarbazol-9-yl)carbazol-3-yl]-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-1-yl]-1-triphenylen-2-ylcarbazole
CID 138623574
12-phenyl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indolo[3,2-c]carbazole
CID 134169035
6-carbazol-9-yl-13-phenyl-8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,13-diazatetracyclo[7.5.0.02,7.012,14]tetradeca-1(9),2(7),3,5,10,12(14)-hexaene
CID 145358031
11-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 169036862
12-[4,6-bis(6-phenyl-3-pyridinyl)pyrimidin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 58142345
9-(4-carbazol-9-ylphenyl)-14-(4,6-diphenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937291

Frequently Asked Questions

What is the IUPAC name of 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine?
The IUPAC name of 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine (CID 145357904) is 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine.
What is the SMILES notation for 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine?
The canonical SMILES for 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine is Nc1ccc2c(c1OCc1ccccc1)c1cccc(-n3c4ccccc4c4ccccc43)c1n2-c1nc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine?
The InChIKey is RFVPPDGVLOVDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37N5O/c54-43-31-32-48-50(52(43)59-34-35-15-4-1-5-16-35)42-23-14-26-49(57-46-24-12-10-21-40(46)41-22-11-13-25-47(41)57)51(42)58(48)53-55-44(38-19-8-3-9-20-38)33-45(56-53)39-29-27-37(28-30-39)36-17-6-2-7-18-36/h1-33H,34,54H2.
What are the key properties of 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine?
8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine has a molecular weight of 759.91 g/mol, XLogP of 12.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbazol-9-yl-4-phenylmethoxy-9-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazol-3-amine is sourced from PubChem (CID 145357904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).