9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole

C90H58N8 — CID 160841836

IUPAC9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c(ccn7-c7ccccc7)cc65)cc4)nc4ccccc34)c2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C46H30N4.C44H28N4/c1-3-12-31(13-4-1)33-14-11-15-35(28-33)45-39-19-7-9-20-41(39)47-46(48-45)32-22-24-37(25-23-32)50-42-21-10-8-18-38(42)40-30-43-34(29-44(40)50)26-27-49(43)36-16-5-2-6-17-36;1-2-13-32(14-3-1)47-26-25-31-27-42-38(28-41(31)47)35-16-7-9-20-40(35)48(42)33-23-21-30(22-24-33)44-45-39-19-8-6-17-37(39)43(46-44)36-18-10-12-29-11-4-5-15-34(29)36/h1-30H;1-28H
InChIKeySIDFATLUKJLDSG-UHFFFAOYSA-N
MW1251.51 g/mol
LogP22.83
Rot. Bonds9

About 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole

9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole (PubChem CID 160841836) has the molecular formula C90H58N8 and a molecular weight of 1251.51 g/mol. Its IUPAC name is 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole.

Molecular Properties

Compound Name9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
PubChem CID160841836
Molecular FormulaC90H58N8
Molecular Weight1251.51 g/mol
Exact Mass1250.48
IUPAC Name9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c(ccn7-c7ccccc7)cc65)cc4)nc4ccccc34)c2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)cc2)cc1
InChIInChI=1S/C46H30N4.C44H28N4/c1-3-12-31(13-4-1)33-14-11-15-35(28-33)45-39-19-7-9-20-41(39)47-46(48-45)32-22-24-37(25-23-32)50-42-21-10-8-18-38(42)40-30-43-34(29-44(40)50)26-27-49(43)36-16-5-2-6-17-36;1-2-13-32(14-3-1)47-26-25-31-27-42-38(28-41(31)47)35-16-7-9-20-40(35)48(42)33-23-21-30(22-24-33)44-45-39-19-8-6-17-37(39)43(46-44)36-18-10-12-29-11-4-5-15-34(29)36/h1-30H;1-28H
InChIKeySIDFATLUKJLDSG-UHFFFAOYSA-N
XLogP22.83
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001251.51
LogP ≤ 522.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062784
9-[4-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062780
3-phenyl-9-[3-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole
CID 90062831
23-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,19-diphenyl-10,19,23-triazahexacyclo[11.10.0.03,11.04,9.014,22.016,20]tricosa-1(13),2,4,6,8,11,14(22),15,17,20-decaene
CID 90267570
9-[3-[4-(4,6-diphenyl-2-pyridinyl)quinazolin-2-yl]phenyl]-3-phenylpyrrolo[3,2-b]carbazole
CID 90062811
3-phenyl-9-[4-(3-phenylcarbazol-9-yl)phenyl]pyrrolo[3,2-b]carbazole
CID 118315232
10,20-diphenyl-7-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene;7-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-10,20-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1(13),2,4(9),5,7,11,14,16,18,20-decaene
CID 160543622
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-1-phenylpyrrolo[3,2-c]carbazole
CID 118317393
11-naphthalen-2-yl-5-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-(3-phenylphenyl)-11-[3-(4-phenylquinazolin-2-yl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]indolo[3,2-b]carbazole
CID 160949028
2-benzo[b]carbazol-5-yl-5-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[b]carbazole
CID 146375622
14-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,18-diphenyl-10,14,18-triazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15(23),16,19,21-decaene
CID 90267307
10-[4-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]phenyl]-1-phenylpyrrolo[2,3-a]carbazole
CID 90062413

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole?
The IUPAC name of 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole (CID 160841836) is 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole.
What is the SMILES notation for 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole?
The canonical SMILES for 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7c(ccn7-c7ccccc7)cc65)cc4)nc4ccccc34)c2)cc1.c1ccc(-n2ccc3cc4c(cc32)c2ccccc2n4-c2ccc(-c3nc(-c4cccc5ccccc45)c4ccccc4n3)cc2)cc1.
What is the InChIKey of 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole?
The InChIKey is SIDFATLUKJLDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C44H28N4/c1-3-12-31(13-4-1)33-14-11-15-35(28-33)45-39-19-7-9-20-41(39)47-46(48-45)32-22-24-37(25-23-32)50-42-21-10-8-18-38(42)40-30-43-34(29-44(40)50)26-27-49(43)36-16-5-2-6-17-36;1-2-13-32(14-3-1)47-26-25-31-27-42-38(28-41(31)47)35-16-7-9-20-40(35)48(42)33-23-21-30(22-24-33)44-45-39-19-8-6-17-37(39)43(46-44)36-18-10-12-29-11-4-5-15-34(29)36/h1-30H;1-28H.
What are the key properties of 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole?
9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole has a molecular weight of 1251.51 g/mol, XLogP of 22.83, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-3-phenylpyrrolo[3,2-b]carbazole;3-phenyl-9-[4-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]pyrrolo[3,2-b]carbazole is sourced from PubChem (CID 160841836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).