4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile

C125H76Cl4N14 — CID 159567553

IUPAC4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)nc(Cl)nc1-n1c2ccccc2c2ccccc21.N#Cc1c(Cl)nc(Cl)nc1Cl.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C53H32N6.C29H16ClN5.C25H18.C13H10.C5Cl3N3/c54-33-44-51(57-45-23-11-7-19-38(45)39-20-8-12-24-46(39)57)55-53(56-52(44)58-47-25-13-9-21-40(47)41-22-10-14-26-48(41)58)59-49-29-27-36(34-15-3-1-4-16-34)31-42(49)43-32-37(28-30-50(43)59)35-17-5-2-6-18-35;30-29-32-27(34-23-13-5-1-9-18(23)19-10-2-6-14-24(19)34)22(17-31)28(33-29)35-25-15-7-3-11-20(25)21-12-4-8-16-26(21)35;1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;6-3-2(1-9)4(7)11-5(8)10-3/h1-32H;1-16H;1-14,16-17H,15H2;1-8H,9H2;
InChIKeyMHJVNSHNEFNICC-UHFFFAOYSA-N
MW1915.89 g/mol
LogP32.33
Rot. Bonds9

About 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile

4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile (PubChem CID 159567553) has the molecular formula C125H76Cl4N14 and a molecular weight of 1915.89 g/mol. Its IUPAC name is 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile
PubChem CID159567553
Molecular FormulaC125H76Cl4N14
Molecular Weight1915.89 g/mol
Exact Mass1912.51
IUPAC Name4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)nc(Cl)nc1-n1c2ccccc2c2ccccc21.N#Cc1c(Cl)nc(Cl)nc1Cl.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C53H32N6.C29H16ClN5.C25H18.C13H10.C5Cl3N3/c54-33-44-51(57-45-23-11-7-19-38(45)39-20-8-12-24-46(39)57)55-53(56-52(44)58-47-25-13-9-21-40(47)41-22-10-14-26-48(41)58)59-49-29-27-36(34-15-3-1-4-16-34)31-42(49)43-32-37(28-30-50(43)59)35-17-5-2-6-18-35;30-29-32-27(34-23-13-5-1-9-18(23)19-10-2-6-14-24(19)34)22(17-31)28(33-29)35-25-15-7-3-11-20(25)21-12-4-8-16-26(21)35;1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;6-3-2(1-9)4(7)11-5(8)10-3/h1-32H;1-16H;1-14,16-17H,15H2;1-8H,9H2;
InChIKeyMHJVNSHNEFNICC-UHFFFAOYSA-N
XLogP32.33
TPSA173.36 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001915.89
LogP ≤ 532.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile with MolForge

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Related Compounds

2-carbazol-9-yl-4,6-bis(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;2-carbazol-9-yl-4,6-bis(3-phenylcarbazol-9-yl)pyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile
CID 160878299
2-carbazol-9-yl-4,6-bis(3,6-dimethylcarbazol-9-yl)pyrimidine-5-carbonitrile
CID 153461375
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]-4,6-diphenyl-1,3,5-triazine;3-phenyl-9H-fluorene
CID 163551188
3-(18-chloro-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl)-9-phenylcarbazole
CID 146886402
11H-benzo[b]fluorene;2-chloro-11H-benzo[b]fluorene;2-chloro-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;bis(3-chloro-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole);methane
CID 159567447
3-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 154618893
2-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-4-phenyl-5H-indeno[1,2-d]pyrimidine;4-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]-2-phenyl-5H-indeno[1,2-d]pyrimidine
CID 158005802
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole
CID 169297724
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
2-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]-5H-indeno[1,2-d]pyrimidine
CID 158215535
3-[3-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9H-fluoren-3-yl]phenyl]-9-phenylcarbazole
CID 154618882

Frequently Asked Questions

What is the IUPAC name of 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile?
The IUPAC name of 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile (CID 159567553) is 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile.
What is the SMILES notation for 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile?
The canonical SMILES for 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)nc1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)nc(Cl)nc1-n1c2ccccc2c2ccccc21.N#Cc1c(Cl)nc(Cl)nc1Cl.c1ccc(-c2ccc3c(c2)-c2cc(-c4ccccc4)ccc2C3)cc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile?
The InChIKey is MHJVNSHNEFNICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N6.C29H16ClN5.C25H18.C13H10.C5Cl3N3/c54-33-44-51(57-45-23-11-7-19-38(45)39-20-8-12-24-46(39)57)55-53(56-52(44)58-47-25-13-9-21-40(47)41-22-10-14-26-48(41)58)59-49-29-27-36(34-15-3-1-4-16-34)31-42(49)43-32-37(28-30-50(43)59)35-17-5-2-6-18-35;30-29-32-27(34-23-13-5-1-9-18(23)19-10-2-6-14-24(19)34)22(17-31)28(33-29)35-25-15-7-3-11-20(25)21-12-4-8-16-26(21)35;1-3-7-18(8-4-1)20-11-13-22-15-23-14-12-21(17-25(23)24(22)16-20)19-9-5-2-6-10-19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;6-3-2(1-9)4(7)11-5(8)10-3/h1-32H;1-16H;1-14,16-17H,15H2;1-8H,9H2;.
What are the key properties of 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile?
4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile has a molecular weight of 1915.89 g/mol, XLogP of 32.33, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(carbazol-9-yl)-2-chloropyrimidine-5-carbonitrile;4,6-di(carbazol-9-yl)-2-(3,6-diphenylcarbazol-9-yl)pyrimidine-5-carbonitrile;3,6-diphenyl-9H-fluorene;9H-fluorene;2,4,6-trichloropyrimidine-5-carbonitrile is sourced from PubChem (CID 159567553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).