4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole

C63H43N3 — CID 176793379

IUPAC4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccc(-c4cc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)nc(-c5ccccc5)n4)c4ccccc34)cccc21
InChIInChI=1S/C63H43N3/c1-63(2)54-31-16-30-51(60(54)53-37-41-20-9-10-21-42(41)38-55(53)63)49-34-35-50(48-27-12-11-26-47(48)49)57-39-56(64-62(65-57)40-18-5-3-6-19-40)44-23-15-22-43(36-44)46-29-17-33-59-61(46)52-28-13-14-32-58(52)66(59)45-24-7-4-8-25-45/h3-39H,1-2H3
InChIKeyURFNEOKDIRBKKB-UHFFFAOYSA-N
MW842.06 g/mol
LogP16.52
Rot. Bonds6

About 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole

4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole (PubChem CID 176793379) has the molecular formula C63H43N3 and a molecular weight of 842.06 g/mol. Its IUPAC name is 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
PubChem CID176793379
Molecular FormulaC63H43N3
Molecular Weight842.06 g/mol
Exact Mass841.35
IUPAC Name4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
SMILESCC1(C)c2cc3ccccc3cc2-c2c(-c3ccc(-c4cc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)nc(-c5ccccc5)n4)c4ccccc34)cccc21
InChIInChI=1S/C63H43N3/c1-63(2)54-31-16-30-51(60(54)53-37-41-20-9-10-21-42(41)38-55(53)63)49-34-35-50(48-27-12-11-26-47(48)49)57-39-56(64-62(65-57)40-18-5-3-6-19-40)44-23-15-22-43(36-44)46-29-17-33-59-61(46)52-28-13-14-32-58(52)66(59)45-24-7-4-8-25-45/h3-39H,1-2H3
InChIKeyURFNEOKDIRBKKB-UHFFFAOYSA-N
XLogP16.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.06
LogP ≤ 516.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794510
4-[3-[6-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-2-yl]phenyl]-9-phenylcarbazole
CID 176793198
2-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794115
4-[4-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794441
3-[3-[6-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794692
3-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176794896
2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]-9-phenylcarbazole
CID 176793551
9-[4-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 176793487
3-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794369
3-[2-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 176794552
4-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 176793652
4-[4-[3-(11,11-dimethylbenzo[b]fluoren-4-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 176795306

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole?
The IUPAC name of 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole (CID 176793379) is 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole.
What is the SMILES notation for 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole?
The canonical SMILES for 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole is CC1(C)c2cc3ccccc3cc2-c2c(-c3ccc(-c4cc(-c5cccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)c5)nc(-c5ccccc5)n4)c4ccccc34)cccc21.
What is the InChIKey of 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole?
The InChIKey is URFNEOKDIRBKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N3/c1-63(2)54-31-16-30-51(60(54)53-37-41-20-9-10-21-42(41)38-55(53)63)49-34-35-50(48-27-12-11-26-47(48)49)57-39-56(64-62(65-57)40-18-5-3-6-19-40)44-23-15-22-43(36-44)46-29-17-33-59-61(46)52-28-13-14-32-58(52)66(59)45-24-7-4-8-25-45/h3-39H,1-2H3.
What are the key properties of 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole?
4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole has a molecular weight of 842.06 g/mol, XLogP of 16.52, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[4-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole is sourced from PubChem (CID 176793379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).