7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole

C46H28N4 — CID 71109103

IUPAC7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5nc(-n6c7ccccc7c7c8ccccc8ccc76)nc6ccccc56)ccc43)cccc2c1
InChIInChI=1S/C46H28N4/c1-3-15-32-29(12-1)14-11-23-39(32)49-40-21-9-6-17-34(40)37-28-31(25-26-42(37)49)45-35-18-5-8-20-38(35)47-46(48-45)50-41-22-10-7-19-36(41)44-33-16-4-2-13-30(33)24-27-43(44)50/h1-28H
InChIKeyQFMQJXRFYDNZMS-UHFFFAOYSA-N
MW636.76 g/mol
LogP11.80
Rot. Bonds3

About 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole

7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 71109103) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID71109103
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc2c(-n3c4ccccc4c4cc(-c5nc(-n6c7ccccc7c7c8ccccc8ccc76)nc6ccccc56)ccc43)cccc2c1
InChIInChI=1S/C46H28N4/c1-3-15-32-29(12-1)14-11-23-39(32)49-40-21-9-6-17-34(40)37-28-31(25-26-42(37)49)45-35-18-5-8-20-38(35)47-46(48-45)50-41-22-10-7-19-36(41)44-33-16-4-2-13-30(33)24-27-43(44)50/h1-28H
InChIKeyQFMQJXRFYDNZMS-UHFFFAOYSA-N
XLogP11.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
10-benzo[c]carbazol-7-yl-5-(4-dibenzothiophen-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 146374695
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
22-(4-naphthalen-2-ylquinazolin-2-yl)-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597968
7-(4-phenylphenyl)-10-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]benzo[c]carbazole;7-(4-phenylphenyl)-10-[9-(4-phenylquinazolin-2-yl)carbazol-3-yl]benzo[c]carbazole
CID 165103211
22-[4-(3-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597929
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
12-[4-(7-phenylbenzo[c]carbazol-10-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 139361712
12-[4-[3-(4-phenylphenyl)phenyl]quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 118535672
7-[4-(6,9-diphenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole;7-[4-(9-phenylcarbazol-3-yl)quinolin-2-yl]benzo[c]carbazole
CID 158696637
12-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129149729

Frequently Asked Questions

What is the IUPAC name of 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole (CID 71109103) is 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole is c1ccc2c(-n3c4ccccc4c4cc(-c5nc(-n6c7ccccc7c7c8ccccc8ccc76)nc6ccccc56)ccc43)cccc2c1.
What is the InChIKey of 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is QFMQJXRFYDNZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-3-15-32-29(12-1)14-11-23-39(32)49-40-21-9-6-17-34(40)37-28-31(25-26-42(37)49)45-35-18-5-8-20-38(35)47-46(48-45)50-41-22-10-7-19-36(41)44-33-16-4-2-13-30(33)24-27-43(44)50/h1-28H.
What are the key properties of 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 636.76 g/mol, XLogP of 11.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 71109103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).