2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine

C97H63N5 — CID 146221100

IUPAC2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c7)n6)cc5)ccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C97H63N5/c1-7-28-66(29-8-1)88-63-89(99-94(98-88)75-54-49-64-27-19-20-32-69(64)59-75)72-34-26-35-73(61-72)90-80(57-58-86-91(90)83-46-22-24-48-85(83)96(86,76-37-11-3-12-38-76)77-39-13-4-14-40-77)65-50-52-68(53-51-65)93-100-92(67-30-9-2-10-31-67)101-95(102-93)74-36-25-33-70(60-74)71-55-56-82-81-45-21-23-47-84(81)97(87(82)62-71,78-41-15-5-16-42-78)79-43-17-6-18-44-79/h1-63H
InChIKeySBHDMQZPUVSIPW-UHFFFAOYSA-N
MW1298.61 g/mol
LogP23.54
Rot. Bonds13

About 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine

2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146221100) has the molecular formula C97H63N5 and a molecular weight of 1298.61 g/mol. Its IUPAC name is 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID146221100
Molecular FormulaC97H63N5
Molecular Weight1298.61 g/mol
Exact Mass1297.51
IUPAC Name2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c7)n6)cc5)ccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C97H63N5/c1-7-28-66(29-8-1)88-63-89(99-94(98-88)75-54-49-64-27-19-20-32-69(64)59-75)72-34-26-35-73(61-72)90-80(57-58-86-91(90)83-46-22-24-48-85(83)96(86,76-37-11-3-12-38-76)77-39-13-4-14-40-77)65-50-52-68(53-51-65)93-100-92(67-30-9-2-10-31-67)101-95(102-93)74-36-25-33-70(60-74)71-55-56-82-81-45-21-23-47-84(81)97(87(82)62-71,78-41-15-5-16-42-78)79-43-17-6-18-44-79/h1-63H
InChIKeySBHDMQZPUVSIPW-UHFFFAOYSA-N
XLogP23.54
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms102
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001298.61
LogP ≤ 523.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-(9,9-diphenylfluoren-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159851053
2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;2-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 157413794
4-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 121450608
4-[4-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-6-(3-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168779837
4-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632236
2-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-3-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(5-isocyano-9,9-diphenylfluoren-2-yl)phenyl]-2-naphthalen-2-yl-6-phenylpyrimidine
CID 163806091
2,4-diphenyl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-3-yl-1,3,5-triazine;4-(3-phenylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylpyrimidine
CID 160636998
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)phenyl]pyrimidine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)phenyl]pyrimidine;4,6-diphenyl-2-[3-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)phenyl]pyrimidine
CID 158184457
2-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[4-[3-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine;4-[4-[4-(9,9-diphenylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 158766572
4-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]-2-phenyl-6-(4-phenylnaphthalen-1-yl)pyrimidine
CID 176632731
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine (CID 146221100) is 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4c(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8ccc9c(c8)C(c8ccccc8)(c8ccccc8)c8ccccc8-9)c7)n6)cc5)ccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is SBHDMQZPUVSIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H63N5/c1-7-28-66(29-8-1)88-63-89(99-94(98-88)75-54-49-64-27-19-20-32-69(64)59-75)72-34-26-35-73(61-72)90-80(57-58-86-91(90)83-46-22-24-48-85(83)96(86,76-37-11-3-12-38-76)77-39-13-4-14-40-77)65-50-52-68(53-51-65)93-100-92(67-30-9-2-10-31-67)101-95(102-93)74-36-25-33-70(60-74)71-55-56-82-81-45-21-23-47-84(81)97(87(82)62-71,78-41-15-5-16-42-78)79-43-17-6-18-44-79/h1-63H.
What are the key properties of 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine?
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 1298.61 g/mol, XLogP of 23.54, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-[4-[4-[3-(2-naphthalen-2-yl-6-phenylpyrimidin-4-yl)phenyl]-9,9-diphenylfluoren-3-yl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146221100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).