3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole

C119H80N4 — CID 160879378

IUPAC3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7cc(-c8ccccc8)ccc7c6)cc5)ccc43)cc21.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7cc(-c8ccccc8)ccc7c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C61H42N2.C58H38N2/c1-61(2)55-17-9-6-14-49(55)50-31-30-48(38-56(50)61)63-58-19-11-8-16-52(58)54-37-46(28-33-60(54)63)41-22-20-40(21-23-41)45-27-32-59-53(36-45)51-15-7-10-18-57(51)62(59)47-29-26-43-34-42(24-25-44(43)35-47)39-12-4-3-5-13-39;1-3-12-39(13-4-1)43-16-11-17-49(35-43)59-55-20-9-7-18-51(55)53-37-47(29-32-57(53)59)41-22-24-42(25-23-41)48-30-33-58-54(38-48)52-19-8-10-21-56(52)60(58)50-31-28-45-34-44(26-27-46(45)36-50)40-14-5-2-6-15-40/h3-38H,1-2H3;1-38H
InChIKeySMVHVUAAWUENRD-UHFFFAOYSA-N
MW1565.98 g/mol
LogP32.04
Rot. Bonds11

About 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole

3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole (PubChem CID 160879378) has the molecular formula C119H80N4 and a molecular weight of 1565.98 g/mol. Its IUPAC name is 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
PubChem CID160879378
Molecular FormulaC119H80N4
Molecular Weight1565.98 g/mol
Exact Mass1564.64
IUPAC Name3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7cc(-c8ccccc8)ccc7c6)cc5)ccc43)cc21.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7cc(-c8ccccc8)ccc7c6)cc5)ccc43)c2)cc1
InChIInChI=1S/C61H42N2.C58H38N2/c1-61(2)55-17-9-6-14-49(55)50-31-30-48(38-56(50)61)63-58-19-11-8-16-52(58)54-37-46(28-33-60(54)63)41-22-20-40(21-23-41)45-27-32-59-53(36-45)51-15-7-10-18-57(51)62(59)47-29-26-43-34-42(24-25-44(43)35-47)39-12-4-3-5-13-39;1-3-12-39(13-4-1)43-16-11-17-49(35-43)59-55-20-9-7-18-51(55)53-37-47(29-32-57(53)59)41-22-24-42(25-23-41)48-30-33-58-54(38-48)52-19-8-10-21-56(52)60(58)50-31-28-45-34-44(26-27-46(45)36-50)40-14-5-2-6-15-40/h3-38H,1-2H3;1-38H
InChIKeySMVHVUAAWUENRD-UHFFFAOYSA-N
XLogP32.04
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms123
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001565.98
LogP ≤ 532.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole?
The IUPAC name of 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole (CID 160879378) is 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole?
The canonical SMILES for 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7cc(-c8ccccc8)ccc7c6)cc5)ccc43)cc21.c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7cc(-c8ccccc8)ccc7c6)cc5)ccc43)c2)cc1.
What is the InChIKey of 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole?
The InChIKey is SMVHVUAAWUENRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2.C58H38N2/c1-61(2)55-17-9-6-14-49(55)50-31-30-48(38-56(50)61)63-58-19-11-8-16-52(58)54-37-46(28-33-60(54)63)41-22-20-40(21-23-41)45-27-32-59-53(36-45)51-15-7-10-18-57(51)62(59)47-29-26-43-34-42(24-25-44(43)35-47)39-12-4-3-5-13-39;1-3-12-39(13-4-1)43-16-11-17-49(35-43)59-55-20-9-7-18-51(55)53-37-47(29-32-57(53)59)41-22-24-42(25-23-41)48-30-33-58-54(38-48)52-19-8-10-21-56(52)60(58)50-31-28-45-34-44(26-27-46(45)36-50)40-14-5-2-6-15-40/h3-38H,1-2H3;1-38H.
What are the key properties of 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole?
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole has a molecular weight of 1565.98 g/mol, XLogP of 32.04, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 160879378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).