9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole

C50H31N5 — CID 118487737

IUPAC9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole
SMILESc1cnc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4c4ccccc4n5-c4cccc5ccccc45)ccc32)nc1
InChIInChI=1S/C50H31N5/c1-2-14-35-32(12-1)13-9-21-41(35)53-44-20-8-5-17-38(44)49-47(53)22-10-23-48(49)54-42-18-6-3-15-36(42)39-30-33(24-26-45(39)54)34-25-27-46-40(31-34)37-16-4-7-19-43(37)55(46)50-51-28-11-29-52-50/h1-31H
InChIKeyQNTIHVURXBMXEL-UHFFFAOYSA-N
MW701.83 g/mol
LogP12.59
Rot. Bonds4

About 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole

9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole (PubChem CID 118487737) has the molecular formula C50H31N5 and a molecular weight of 701.83 g/mol. Its IUPAC name is 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole.

Molecular Properties

Compound Name9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole
PubChem CID118487737
Molecular FormulaC50H31N5
Molecular Weight701.83 g/mol
Exact Mass701.26
IUPAC Name9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole
SMILESc1cnc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4c4ccccc4n5-c4cccc5ccccc45)ccc32)nc1
InChIInChI=1S/C50H31N5/c1-2-14-35-32(12-1)13-9-21-41(35)53-44-20-8-5-17-38(44)49-47(53)22-10-23-48(49)54-42-18-6-3-15-36(42)39-30-33(24-26-45(39)54)34-25-27-46-40(31-34)37-16-4-7-19-43(37)55(46)50-51-28-11-29-52-50/h1-31H
InChIKeyQNTIHVURXBMXEL-UHFFFAOYSA-N
XLogP12.59
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.83
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
10-[3-(9-benzo[h]quinolin-10-ylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinoline
CID 118003229
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-2-yl]-9-naphthalen-1-ylcarbazole
CID 157156172
7-methyl-10-(9-naphthalen-1-ylcarbazol-3-yl)benzo[c]carbazole
CID 138662750
11-(9-naphthalen-1-ylcarbazol-4-yl)-5-phenylindolo[3,2-b]carbazole;11-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylindolo[3,2-b]carbazole;5-(9-naphthalen-1-ylcarbazol-4-yl)-11-pyrimidin-2-ylindolo[3,2-b]carbazole;5-(9-phenylcarbazol-4-yl)-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-1-yl)indolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-3-yl)indolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-4-yl)indolo[3,2-b]carbazole
CID 157380165
9-naphthalen-1-yl-14-(6-phenylnaphthalen-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 142551551

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole?
The IUPAC name of 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole (CID 118487737) is 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole.
What is the SMILES notation for 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole?
The canonical SMILES for 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole is c1cnc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c4c4ccccc4n5-c4cccc5ccccc45)ccc32)nc1.
What is the InChIKey of 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole?
The InChIKey is QNTIHVURXBMXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5/c1-2-14-35-32(12-1)13-9-21-41(35)53-44-20-8-5-17-38(44)49-47(53)22-10-23-48(49)54-42-18-6-3-15-36(42)39-30-33(24-26-45(39)54)34-25-27-46-40(31-34)37-16-4-7-19-43(37)55(46)50-51-28-11-29-52-50/h1-31H.
What are the key properties of 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole?
9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole has a molecular weight of 701.83 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole is sourced from PubChem (CID 118487737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).