2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole

C54H36N4 — CID 122524404

IUPAC2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)ccccc3n2)cc1
InChIInChI=1S/C54H36N4/c1-4-17-37(18-5-1)53-47-27-16-24-42(23-10-13-28-48(47)55-54(56-53)38-19-6-2-7-20-38)58-50-30-15-12-26-44(50)46-34-32-40(36-52(46)58)39-31-33-45-43-25-11-14-29-49(43)57(51(45)35-39)41-21-8-3-9-22-41/h1-36H/b13-10+,23-10-,24-16+,27-16+,28-13+,42-23+,42-24+,47-27+,48-28+
InChIKeyBYRCPDAGIGPQOG-ZRNCCXRNSA-N
MW740.91 g/mol
LogP13.95
Rot. Bonds5

About 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole

2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 122524404) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID122524404
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)ccccc3n2)cc1
InChIInChI=1S/C54H36N4/c1-4-17-37(18-5-1)53-47-27-16-24-42(23-10-13-28-48(47)55-54(56-53)38-19-6-2-7-20-38)58-50-30-15-12-26-44(50)46-34-32-40(36-52(46)58)39-31-33-45-43-25-11-14-29-49(43)57(51(45)35-39)41-21-8-3-9-22-41/h1-36H/b13-10+,23-10-,24-16+,27-16+,28-13+,42-23+,42-24+,47-27+,48-28+
InChIKeyBYRCPDAGIGPQOG-ZRNCCXRNSA-N
XLogP13.95
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
3-[9-(4-methylphenyl)carbazol-2-yl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129286
N,N-diphenyl-4-[2-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-9-yl]aniline
CID 163422433
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
11-phenyl-3-(9-phenylcarbazol-3-yl)-12-[4-(4-phenylquinazolin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 67701976
methyl-diphenyl-[3-[2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]silane
CID 90129296
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
3-(2,4-diphenylquinazolin-7-yl)-9-(4-phenylphenyl)carbazole
CID 145159167
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630568

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole (CID 122524404) is 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)c3cccc(-n4c5ccccc5c5ccc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cc54)ccccc3n2)cc1.
What is the InChIKey of 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is BYRCPDAGIGPQOG-ZRNCCXRNSA-N. The full InChI is InChI=1S/C54H36N4/c1-4-17-37(18-5-1)53-47-27-16-24-42(23-10-13-28-48(47)55-54(56-53)38-19-6-2-7-20-38)58-50-30-15-12-26-44(50)46-34-32-40(36-52(46)58)39-31-33-45-43-25-11-14-29-49(43)57(51(45)35-39)41-21-8-3-9-22-41/h1-36H/b13-10+,23-10-,24-16+,27-16+,28-13+,42-23+,42-24+,47-27+,48-28+.
What are the key properties of 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole?
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 740.91 g/mol, XLogP of 13.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 122524404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).