9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole

C130H160N2O4 — CID 58012927

IUPAC9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-n5c6ccc(-c7ccc(OCC(CC)CCCC)cc7)cc6c6cc(-c7ccc(OCC(CC)CCCC)cc7)ccc65)ccc3-4)ccc2-c2ccc(-n3c4ccc(-c5ccc(OCC(CC)CCCC)cc5)cc4c4cc(-c5ccc(OCC(CC)CCCC)cc5)ccc43)cc21
InChIInChI=1S/C130H160N2O4/c1-13-25-33-37-77-129(78-38-34-26-14-2)121-85-105(53-69-113(121)115-71-59-107(87-123(115)129)131-125-73-55-101(97-45-61-109(62-46-97)133-89-93(21-9)41-29-17-5)81-117(125)118-82-102(56-74-126(118)131)98-47-63-110(64-48-98)134-90-94(22-10)42-30-18-6)106-54-70-114-116-72-60-108(88-124(116)130(122(114)86-106,79-39-35-27-15-3)80-40-36-28-16-4)132-127-75-57-103(99-49-65-111(66-50-99)135-91-95(23-11)43-31-19-7)83-119(127)120-84-104(58-76-128(120)132)100-51-67-112(68-52-100)136-92-96(24-12)44-32-20-8/h45-76,81-88,93-96H,13-44,77-80,89-92H2,1-12H3
InChIKeyIDTFQRAXDOJBLY-UHFFFAOYSA-N
MW1814.72 g/mol
LogP39.01
Rot. Bonds55

About 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole

9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole (PubChem CID 58012927) has the molecular formula C130H160N2O4 and a molecular weight of 1814.72 g/mol. Its IUPAC name is 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole.

Molecular Properties

Compound Name9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole
PubChem CID58012927
Molecular FormulaC130H160N2O4
Molecular Weight1814.72 g/mol
Exact Mass1813.24
IUPAC Name9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole
SMILESCCCCCCC1(CCCCCC)c2cc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-n5c6ccc(-c7ccc(OCC(CC)CCCC)cc7)cc6c6cc(-c7ccc(OCC(CC)CCCC)cc7)ccc65)ccc3-4)ccc2-c2ccc(-n3c4ccc(-c5ccc(OCC(CC)CCCC)cc5)cc4c4cc(-c5ccc(OCC(CC)CCCC)cc5)ccc43)cc21
InChIInChI=1S/C130H160N2O4/c1-13-25-33-37-77-129(78-38-34-26-14-2)121-85-105(53-69-113(121)115-71-59-107(87-123(115)129)131-125-73-55-101(97-45-61-109(62-46-97)133-89-93(21-9)41-29-17-5)81-117(125)118-82-102(56-74-126(118)131)98-47-63-110(64-48-98)134-90-94(22-10)42-30-18-6)106-54-70-114-116-72-60-108(88-124(116)130(122(114)86-106,79-39-35-27-15-3)80-40-36-28-16-4)132-127-75-57-103(99-49-65-111(66-50-99)135-91-95(23-11)43-31-19-7)83-119(127)120-84-104(58-76-128(120)132)100-51-67-112(68-52-100)136-92-96(24-12)44-32-20-8/h45-76,81-88,93-96H,13-44,77-80,89-92H2,1-12H3
InChIKeyIDTFQRAXDOJBLY-UHFFFAOYSA-N
XLogP39.01
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds55
Heavy Atoms136
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001814.72
LogP ≤ 539.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole?
The IUPAC name of 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole (CID 58012927) is 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole.
What is the SMILES notation for 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole?
The canonical SMILES for 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole is CCCCCCC1(CCCCCC)c2cc(-c3ccc4c(c3)C(CCCCCC)(CCCCCC)c3cc(-n5c6ccc(-c7ccc(OCC(CC)CCCC)cc7)cc6c6cc(-c7ccc(OCC(CC)CCCC)cc7)ccc65)ccc3-4)ccc2-c2ccc(-n3c4ccc(-c5ccc(OCC(CC)CCCC)cc5)cc4c4cc(-c5ccc(OCC(CC)CCCC)cc5)ccc43)cc21.
What is the InChIKey of 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole?
The InChIKey is IDTFQRAXDOJBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H160N2O4/c1-13-25-33-37-77-129(78-38-34-26-14-2)121-85-105(53-69-113(121)115-71-59-107(87-123(115)129)131-125-73-55-101(97-45-61-109(62-46-97)133-89-93(21-9)41-29-17-5)81-117(125)118-82-102(56-74-126(118)131)98-47-63-110(64-48-98)134-90-94(22-10)42-30-18-6)106-54-70-114-116-72-60-108(88-124(116)130(122(114)86-106,79-39-35-27-15-3)80-40-36-28-16-4)132-127-75-57-103(99-49-65-111(66-50-99)135-91-95(23-11)43-31-19-7)83-119(127)120-84-104(58-76-128(120)132)100-51-67-112(68-52-100)136-92-96(24-12)44-32-20-8/h45-76,81-88,93-96H,13-44,77-80,89-92H2,1-12H3.
What are the key properties of 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole?
9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole has a molecular weight of 1814.72 g/mol, XLogP of 39.01, 55 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[7-[3,6-bis[4-(2-ethylhexoxy)phenyl]carbazol-9-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-3,6-bis[4-(2-ethylhexoxy)phenyl]carbazole is sourced from PubChem (CID 58012927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).