9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole

C51H39N3 — CID 59413542

IUPAC9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole
SMILESCC(C)Cc1ccc(C2(c3cccc(-c4cnc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H39N3/c1-34(2)30-35-22-26-39(27-23-35)51(46-18-7-3-14-42(46)43-15-4-8-19-47(43)51)40-13-11-12-37(31-40)38-32-52-50(53-33-38)36-24-28-41(29-25-36)54-48-20-9-5-16-44(48)45-17-6-10-21-49(45)54/h3-29,31-34H,30H2,1-2H3
InChIKeyJUCAGELJQBNOKM-UHFFFAOYSA-N
MW693.89 g/mol
LogP12.47
Rot. Bonds7

About 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole

9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole (PubChem CID 59413542) has the molecular formula C51H39N3 and a molecular weight of 693.89 g/mol. Its IUPAC name is 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole
PubChem CID59413542
Molecular FormulaC51H39N3
Molecular Weight693.89 g/mol
Exact Mass693.31
IUPAC Name9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole
SMILESCC(C)Cc1ccc(C2(c3cccc(-c4cnc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)c3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C51H39N3/c1-34(2)30-35-22-26-39(27-23-35)51(46-18-7-3-14-42(46)43-15-4-8-19-47(43)51)40-13-11-12-37(31-40)38-32-52-50(53-33-38)36-24-28-41(29-25-36)54-48-20-9-5-16-44(48)45-17-6-10-21-49(45)54/h3-29,31-34H,30H2,1-2H3
InChIKeyJUCAGELJQBNOKM-UHFFFAOYSA-N
XLogP12.47
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.89
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-(2-methylpropyl)carbazole;9-[4-[4-[9-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole;9-[4-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]phenyl]-3-[4-(2-methylpropyl)phenyl]carbazole
CID 157478777
2-[4-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]phenyl]-1-phenylbenzimidazole
CID 58471989
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[9-[4-(2-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]carbazole
CID 154590784
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
9-phenyl-6-(9-phenylcarbazol-3-yl)-2-(9-phenylfluoren-9-yl)carbazole
CID 118145084
9-phenyl-3-(9-phenylfluoren-9-yl)-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 121311550
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[9-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[2-[4-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[3-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-[4-[4-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161306862
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
3-[9-[4-[2-[4-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590406

Frequently Asked Questions

What is the IUPAC name of 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole (CID 59413542) is 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole is CC(C)Cc1ccc(C2(c3cccc(-c4cnc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)nc4)c3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole?
The InChIKey is JUCAGELJQBNOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H39N3/c1-34(2)30-35-22-26-39(27-23-35)51(46-18-7-3-14-42(46)43-15-4-8-19-47(43)51)40-13-11-12-37(31-40)38-32-52-50(53-33-38)36-24-28-41(29-25-36)54-48-20-9-5-16-44(48)45-17-6-10-21-49(45)54/h3-29,31-34H,30H2,1-2H3.
What are the key properties of 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole?
9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole has a molecular weight of 693.89 g/mol, XLogP of 12.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[5-[3-[9-[4-(2-methylpropyl)phenyl]fluoren-9-yl]phenyl]pyrimidin-2-yl]phenyl]carbazole is sourced from PubChem (CID 59413542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).