7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole

C53H42N4 — CID 134431946

IUPAC7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole
SMILESC/C=C\C1=C(C)C(C)(C)c2cc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c3)ccc2N1c1ccccc1
InChIInChI=1S/C53H42N4/c1-5-17-47-35(2)53(3,4)44-32-39(28-30-48(44)56(47)41-23-13-8-14-24-41)40-26-29-43-50(33-40)57(49-31-27-36-18-15-16-25-42(36)51(43)49)52-54-45(37-19-9-6-10-20-37)34-46(55-52)38-21-11-7-12-22-38/h5-34H,1-4H3/b17-5-
InChIKeyIUTKPYMEAULAMO-ZWSORDCHSA-N
MW734.95 g/mol
LogP14.01
Rot. Bonds6

About 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole

7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole (PubChem CID 134431946) has the molecular formula C53H42N4 and a molecular weight of 734.95 g/mol. Its IUPAC name is 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole
PubChem CID134431946
Molecular FormulaC53H42N4
Molecular Weight734.95 g/mol
Exact Mass734.34
IUPAC Name7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole
SMILESC/C=C\C1=C(C)C(C)(C)c2cc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c3)ccc2N1c1ccccc1
InChIInChI=1S/C53H42N4/c1-5-17-47-35(2)53(3,4)44-32-39(28-30-48(44)56(47)41-23-13-8-14-24-41)40-26-29-43-50(33-40)57(49-31-27-36-18-15-16-25-42(36)51(43)49)52-54-45(37-19-9-6-10-20-37)34-46(55-52)38-21-11-7-12-22-38/h5-34H,1-4H3/b17-5-
InChIKeyIUTKPYMEAULAMO-ZWSORDCHSA-N
XLogP14.01
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.95
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 134431940
7-[4-(3,5-diphenylphenyl)-6-phenylpyrimidin-2-yl]-9-phenylbenzo[c]carbazole
CID 90269684
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole
CID 134431357
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 134431640
5-(4,6-diphenylpyrimidin-2-yl)-15,15-dimethyl-1,5-diazaoctacyclo[14.14.1.02,14.04,12.06,11.020,31.021,30.022,27]hentriaconta-2(14),3,6,8,10,12,16,18,20(31),21(30),22,24,26,28-tetradecaene
CID 121442649
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
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
7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
CID 131998839
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole?
The IUPAC name of 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole (CID 134431946) is 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole.
What is the SMILES notation for 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole?
The canonical SMILES for 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole is C/C=C\C1=C(C)C(C)(C)c2cc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)c4c3)ccc2N1c1ccccc1.
What is the InChIKey of 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole?
The InChIKey is IUTKPYMEAULAMO-ZWSORDCHSA-N. The full InChI is InChI=1S/C53H42N4/c1-5-17-47-35(2)53(3,4)44-32-39(28-30-48(44)56(47)41-23-13-8-14-24-41)40-26-29-43-50(33-40)57(49-31-27-36-18-15-16-25-42(36)51(43)49)52-54-45(37-19-9-6-10-20-37)34-46(55-52)38-21-11-7-12-22-38/h5-34H,1-4H3/b17-5-.
What are the key properties of 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole?
7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole has a molecular weight of 734.95 g/mol, XLogP of 14.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole is sourced from PubChem (CID 134431946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).