5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole

C47H29N5 — CID 118637586

IUPAC5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)nc3cccnc23)cc1
InChIInChI=1S/C47H29N5/c1-3-14-30(15-4-1)45-46-39(22-13-27-48-46)49-47(50-45)52-41-24-12-10-21-37(41)44-36-20-8-7-18-33(36)38(29-43(44)52)31-25-26-35-34-19-9-11-23-40(34)51(42(35)28-31)32-16-5-2-6-17-32/h1-29H
InChIKeyILACAGIJWVUWIW-UHFFFAOYSA-N
MW663.78 g/mol
LogP11.71
Rot. Bonds4

About 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole

5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole (PubChem CID 118637586) has the molecular formula C47H29N5 and a molecular weight of 663.78 g/mol. Its IUPAC name is 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole
PubChem CID118637586
Molecular FormulaC47H29N5
Molecular Weight663.78 g/mol
Exact Mass663.24
IUPAC Name5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)nc3cccnc23)cc1
InChIInChI=1S/C47H29N5/c1-3-14-30(15-4-1)45-46-39(22-13-27-48-46)49-47(50-45)52-41-24-12-10-21-37(41)44-36-20-8-7-18-33(36)38(29-43(44)52)31-25-26-35-34-19-9-11-23-40(34)51(42(35)28-31)32-16-5-2-6-17-32/h1-29H
InChIKeyILACAGIJWVUWIW-UHFFFAOYSA-N
XLogP11.71
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-phenyl-5-[9-(4-phenylpyrido[2,3-d]pyrimidin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 118637829
5-phenyl-7-[9-(4-phenylquinazolin-2-yl)carbazol-4-yl]pyrido[3,2-b]indole
CID 129221822
5-[4-(11-phenylbenzo[a]carbazol-5-yl)phenyl]-11-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[a]carbazole
CID 138701994
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
9-phenyl-18-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118672663
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
20-phenyl-10-[4-(4-phenylphenyl)quinazolin-2-yl]-8,10,20-triazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 138639575
4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215703
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267

Frequently Asked Questions

What is the IUPAC name of 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole?
The IUPAC name of 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole (CID 118637586) is 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole?
The canonical SMILES for 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4c5ccccc5c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)nc3cccnc23)cc1.
What is the InChIKey of 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole?
The InChIKey is ILACAGIJWVUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N5/c1-3-14-30(15-4-1)45-46-39(22-13-27-48-46)49-47(50-45)52-41-24-12-10-21-37(41)44-36-20-8-7-18-33(36)38(29-43(44)52)31-25-26-35-34-19-9-11-23-40(34)51(42(35)28-31)32-16-5-2-6-17-32/h1-29H.
What are the key properties of 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole?
5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole has a molecular weight of 663.78 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-phenylcarbazol-2-yl)-7-(4-phenylpyrido[3,2-d]pyrimidin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 118637586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).