9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole

C50H32N2 — CID 126590420

IUPAC9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc5)ccc43)ccc2c1
InChIInChI=1S/C50H32N2/c1-3-11-37-29-41(25-21-33(37)9-1)51-47-15-7-5-13-43(47)45-31-39(23-27-49(45)51)35-17-19-36(20-18-35)40-24-28-50-46(32-40)44-14-6-8-16-48(44)52(50)42-26-22-34-10-2-4-12-38(34)30-42/h1-32H
InChIKeyYYHNMKXXQNHUDY-UHFFFAOYSA-N
MW660.82 g/mol
LogP13.52
Rot. Bonds4

About 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole

9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole (PubChem CID 126590420) has the molecular formula C50H32N2 and a molecular weight of 660.82 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
PubChem CID126590420
Molecular FormulaC50H32N2
Molecular Weight660.82 g/mol
Exact Mass660.26
IUPAC Name9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc5)ccc43)ccc2c1
InChIInChI=1S/C50H32N2/c1-3-11-37-29-41(25-21-33(37)9-1)51-47-15-7-5-13-43(47)45-31-39(23-27-49(45)51)35-17-19-36(20-18-35)40-24-28-50-46(32-40)44-14-6-8-16-48(44)52(50)42-26-22-34-10-2-4-12-38(34)30-42/h1-32H
InChIKeyYYHNMKXXQNHUDY-UHFFFAOYSA-N
XLogP13.52
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.82
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole (CID 126590420) is 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole is c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7ccccc7c6)cc5)ccc43)ccc2c1.
What is the InChIKey of 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is YYHNMKXXQNHUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2/c1-3-11-37-29-41(25-21-33(37)9-1)51-47-15-7-5-13-43(47)45-31-39(23-27-49(45)51)35-17-19-36(20-18-35)40-24-28-50-46(32-40)44-14-6-8-16-48(44)52(50)42-26-22-34-10-2-4-12-38(34)30-42/h1-32H.
What are the key properties of 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole?
9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 660.82 g/mol, XLogP of 13.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 126590420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).