N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline

C120H120N4 — CID 58281965

IUPACN-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline
SMILESCCCCCCc1ccc(C2(CCCCCc3ccc4c(c3)CC4)c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(C)cc6)n5)cc4)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(CCCCCC)cc4)(c4ccc(CCCCCC)cc4)c4cc(-c6ccc(N(c7ccc(C)cc7)c7ccc(C(C)CC)cc7)cc6)ccc4-5)cc32)cc1
InChIInChI=1S/C120H120N4/c1-8-12-15-20-27-86-38-61-102(62-39-86)119(77-26-19-23-30-89-37-46-91-49-52-97(91)78-89)112-79-98(92-47-50-96(51-48-92)118-122-116(94-31-24-18-25-32-94)121-117(123-118)95-44-33-83(5)34-45-95)57-73-108(112)109-74-59-100(80-113(109)119)101-60-76-111-110-75-58-99(93-55-71-107(72-56-93)124(105-67-35-84(6)36-68-105)106-69-53-90(54-70-106)85(7)11-4)81-114(110)120(115(111)82-101,103-63-40-87(41-64-103)28-21-16-13-9-2)104-65-42-88(43-66-104)29-22-17-14-10-3/h18,24-25,31-48,50-51,53-76,78-82,85H,8-17,19-23,26-30,49,52,77H2,1-7H3
InChIKeyGTHZATQTQGXWBE-UHFFFAOYSA-N
MW1618.31 g/mol
LogP32.42
Rot. Bonds35

About N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline

N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline (PubChem CID 58281965) has the molecular formula C120H120N4 and a molecular weight of 1618.31 g/mol. Its IUPAC name is N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline.

Molecular Properties

Compound NameN-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline
PubChem CID58281965
Molecular FormulaC120H120N4
Molecular Weight1618.31 g/mol
Exact Mass1616.95
IUPAC NameN-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline
SMILESCCCCCCc1ccc(C2(CCCCCc3ccc4c(c3)CC4)c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(C)cc6)n5)cc4)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(CCCCCC)cc4)(c4ccc(CCCCCC)cc4)c4cc(-c6ccc(N(c7ccc(C)cc7)c7ccc(C(C)CC)cc7)cc6)ccc4-5)cc32)cc1
InChIInChI=1S/C120H120N4/c1-8-12-15-20-27-86-38-61-102(62-39-86)119(77-26-19-23-30-89-37-46-91-49-52-97(91)78-89)112-79-98(92-47-50-96(51-48-92)118-122-116(94-31-24-18-25-32-94)121-117(123-118)95-44-33-83(5)34-45-95)57-73-108(112)109-74-59-100(80-113(109)119)101-60-76-111-110-75-58-99(93-55-71-107(72-56-93)124(105-67-35-84(6)36-68-105)106-69-53-90(54-70-106)85(7)11-4)81-114(110)120(115(111)82-101,103-63-40-87(41-64-103)28-21-16-13-9-2)104-65-42-88(43-66-104)29-22-17-14-10-3/h18,24-25,31-48,50-51,53-76,78-82,85H,8-17,19-23,26-30,49,52,77H2,1-7H3
InChIKeyGTHZATQTQGXWBE-UHFFFAOYSA-N
XLogP32.42
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds35
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001618.31
LogP ≤ 532.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline?
The IUPAC name of N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline (CID 58281965) is N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline.
What is the SMILES notation for N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline?
The canonical SMILES for N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline is CCCCCCc1ccc(C2(CCCCCc3ccc4c(c3)CC4)c3cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(C)cc6)n5)cc4)ccc3-c3ccc(-c4ccc5c(c4)C(c4ccc(CCCCCC)cc4)(c4ccc(CCCCCC)cc4)c4cc(-c6ccc(N(c7ccc(C)cc7)c7ccc(C(C)CC)cc7)cc6)ccc4-5)cc32)cc1.
What is the InChIKey of N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline?
The InChIKey is GTHZATQTQGXWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C120H120N4/c1-8-12-15-20-27-86-38-61-102(62-39-86)119(77-26-19-23-30-89-37-46-91-49-52-97(91)78-89)112-79-98(92-47-50-96(51-48-92)118-122-116(94-31-24-18-25-32-94)121-117(123-118)95-44-33-83(5)34-45-95)57-73-108(112)109-74-59-100(80-113(109)119)101-60-76-111-110-75-58-99(93-55-71-107(72-56-93)124(105-67-35-84(6)36-68-105)106-69-53-90(54-70-106)85(7)11-4)81-114(110)120(115(111)82-101,103-63-40-87(41-64-103)28-21-16-13-9-2)104-65-42-88(43-66-104)29-22-17-14-10-3/h18,24-25,31-48,50-51,53-76,78-82,85H,8-17,19-23,26-30,49,52,77H2,1-7H3.
What are the key properties of N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline?
N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline has a molecular weight of 1618.31 g/mol, XLogP of 32.42, 35 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-[9-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)pentyl]-9-(4-hexylphenyl)-7-[4-[4-(4-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-9,9-bis(4-hexylphenyl)fluoren-2-yl]phenyl]-N-(4-butan-2-ylphenyl)-4-methylaniline is sourced from PubChem (CID 58281965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).