1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole

C104H111N3O4 — CID 87484891

IUPAC1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
SMILESCCCCC(CC)COc1ccc(-c2ccc3[nH]c4c(-c5ccc(-c6ccc7[nH]c8ccc(-c9ccc(-c%10cc(-c%11ccc(OCC(CC)CCCC)cc%11)cc%11c%10[nH]c%10ccc(-c%12ccc(OCC(CC)CCCC)cc%12)cc%10%11)cc9)cc8c7c6)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1
InChIInChI=1S/C104H111N3O4/c1-9-17-21-69(13-5)65-108-87-45-33-75(34-46-87)83-43-55-101-95(59-83)97-63-85(77-37-49-89(50-38-77)110-67-71(15-7)23-19-11-3)61-91(103(97)106-101)79-29-25-73(26-30-79)81-41-53-99-93(57-81)94-58-82(42-54-100(94)105-99)74-27-31-80(32-28-74)92-62-86(78-39-51-90(52-40-78)111-68-72(16-8)24-20-12-4)64-98-96-60-84(44-56-102(96)107-104(92)98)76-35-47-88(48-36-76)109-66-70(14-6)22-18-10-2/h25-64,69-72,105-107H,9-24,65-68H2,1-8H3
InChIKeyZERCGEZPBDFVEE-UHFFFAOYSA-N
MW1467.05 g/mol
LogP30.31
Rot. Bonds36

About 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole

1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole (PubChem CID 87484891) has the molecular formula C104H111N3O4 and a molecular weight of 1467.05 g/mol. Its IUPAC name is 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole.

Molecular Properties

Compound Name1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
PubChem CID87484891
Molecular FormulaC104H111N3O4
Molecular Weight1467.05 g/mol
Exact Mass1465.86
IUPAC Name1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole
SMILESCCCCC(CC)COc1ccc(-c2ccc3[nH]c4c(-c5ccc(-c6ccc7[nH]c8ccc(-c9ccc(-c%10cc(-c%11ccc(OCC(CC)CCCC)cc%11)cc%11c%10[nH]c%10ccc(-c%12ccc(OCC(CC)CCCC)cc%12)cc%10%11)cc9)cc8c7c6)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1
InChIInChI=1S/C104H111N3O4/c1-9-17-21-69(13-5)65-108-87-45-33-75(34-46-87)83-43-55-101-95(59-83)97-63-85(77-37-49-89(50-38-77)110-67-71(15-7)23-19-11-3)61-91(103(97)106-101)79-29-25-73(26-30-79)81-41-53-99-93(57-81)94-58-82(42-54-100(94)105-99)74-27-31-80(32-28-74)92-62-86(78-39-51-90(52-40-78)111-68-72(16-8)24-20-12-4)64-98-96-60-84(44-56-102(96)107-104(92)98)76-35-47-88(48-36-76)109-66-70(14-6)22-18-10-2/h25-64,69-72,105-107H,9-24,65-68H2,1-8H3
InChIKeyZERCGEZPBDFVEE-UHFFFAOYSA-N
XLogP30.31
TPSA84.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001467.05
LogP ≤ 530.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole?
The IUPAC name of 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole (CID 87484891) is 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole.
What is the SMILES notation for 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole?
The canonical SMILES for 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole is CCCCC(CC)COc1ccc(-c2ccc3[nH]c4c(-c5ccc(-c6ccc7[nH]c8ccc(-c9ccc(-c%10cc(-c%11ccc(OCC(CC)CCCC)cc%11)cc%11c%10[nH]c%10ccc(-c%12ccc(OCC(CC)CCCC)cc%12)cc%10%11)cc9)cc8c7c6)cc5)cc(-c5ccc(OCC(CC)CCCC)cc5)cc4c3c2)cc1.
What is the InChIKey of 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole?
The InChIKey is ZERCGEZPBDFVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H111N3O4/c1-9-17-21-69(13-5)65-108-87-45-33-75(34-46-87)83-43-55-101-95(59-83)97-63-85(77-37-49-89(50-38-77)110-67-71(15-7)23-19-11-3)61-91(103(97)106-101)79-29-25-73(26-30-79)81-41-53-99-93(57-81)94-58-82(42-54-100(94)105-99)74-27-31-80(32-28-74)92-62-86(78-39-51-90(52-40-78)111-68-72(16-8)24-20-12-4)64-98-96-60-84(44-56-102(96)107-104(92)98)76-35-47-88(48-36-76)109-66-70(14-6)22-18-10-2/h25-64,69-72,105-107H,9-24,65-68H2,1-8H3.
What are the key properties of 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole?
1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole has a molecular weight of 1467.05 g/mol, XLogP of 30.31, 36 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[4-[3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazol-1-yl]phenyl]-9H-carbazol-3-yl]phenyl]-3,6-bis[4-(2-ethylhexoxy)phenyl]-9H-carbazole is sourced from PubChem (CID 87484891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).