N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine

C106H73N9 — CID 163784193

IUPACN-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
SMILESCC1C=CC(c2nc(-c3cccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc(-c3cccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)=CC1N(c1ccc2ccccc2c1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C106H73N9/c1-70-47-48-79(66-103(70)112(87-54-51-73-27-13-16-30-76(73)63-87)90-57-60-102-96(69-90)93-43-19-22-46-99(93)115(102)82-37-9-4-10-38-82)106-108-104(77-31-23-39-83(64-77)110(85-52-49-71-25-11-14-28-74(71)61-85)88-55-58-100-94(67-88)91-41-17-20-44-97(91)113(100)80-33-5-2-6-34-80)107-105(109-106)78-32-24-40-84(65-78)111(86-53-50-72-26-12-15-29-75(72)62-86)89-56-59-101-95(68-89)92-42-18-21-45-98(92)114(101)81-35-7-3-8-36-81/h2-70,103H,1H3
InChIKeyMRDHLSWZAKZPHR-UHFFFAOYSA-N
MW1472.81 g/mol
LogP27.69
Rot. Bonds15

About N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine

N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine (PubChem CID 163784193) has the molecular formula C106H73N9 and a molecular weight of 1472.81 g/mol. Its IUPAC name is N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine.

Molecular Properties

Compound NameN-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
PubChem CID163784193
Molecular FormulaC106H73N9
Molecular Weight1472.81 g/mol
Exact Mass1471.60
IUPAC NameN-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
SMILESCC1C=CC(c2nc(-c3cccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc(-c3cccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)=CC1N(c1ccc2ccccc2c1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C106H73N9/c1-70-47-48-79(66-103(70)112(87-54-51-73-27-13-16-30-76(73)63-87)90-57-60-102-96(69-90)93-43-19-22-46-99(93)115(102)82-37-9-4-10-38-82)106-108-104(77-31-23-39-83(64-77)110(85-52-49-71-25-11-14-28-74(71)61-85)88-55-58-100-94(67-88)91-41-17-20-44-97(91)113(100)80-33-5-2-6-34-80)107-105(109-106)78-32-24-40-84(65-78)111(86-53-50-72-26-12-15-29-75(72)62-86)89-56-59-101-95(68-89)92-42-18-21-45-98(92)114(101)81-35-7-3-8-36-81/h2-70,103H,1H3
InChIKeyMRDHLSWZAKZPHR-UHFFFAOYSA-N
XLogP27.69
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001472.81
LogP ≤ 527.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine with MolForge

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Related Compounds

1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-N,3-N,6-N,6-N-tetraphenylcarbazole-3,6-diamine
CID 90211166
3-[4,6-bis[3-(N-[4-(9-phenylcarbazol-2-yl)phenyl]anilino)phenyl]-1,3,5-triazin-2-yl]-N-phenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 126631662
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(3-phenylphenyl)-4-N-[9-(3-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 177116835
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-(4-carbazol-9-ylphenyl)-3-naphthalen-2-yl-N-phenylaniline
CID 135164563
N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-3-[4-[3-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]aniline
CID 134236787
N-(3-carbazol-9-ylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 59650459
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581

Frequently Asked Questions

What is the IUPAC name of N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
The IUPAC name of N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine (CID 163784193) is N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine.
What is the SMILES notation for N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
The canonical SMILES for N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine is CC1C=CC(c2nc(-c3cccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)nc(-c3cccc(N(c4ccc5ccccc5c4)c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c3)n2)=CC1N(c1ccc2ccccc2c1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
The InChIKey is MRDHLSWZAKZPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H73N9/c1-70-47-48-79(66-103(70)112(87-54-51-73-27-13-16-30-76(73)63-87)90-57-60-102-96(69-90)93-43-19-22-46-99(93)115(102)82-37-9-4-10-38-82)106-108-104(77-31-23-39-83(64-77)110(85-52-49-71-25-11-14-28-74(71)61-85)88-55-58-100-94(67-88)91-41-17-20-44-97(91)113(100)80-33-5-2-6-34-80)107-105(109-106)78-32-24-40-84(65-78)111(86-53-50-72-26-12-15-29-75(72)62-86)89-56-59-101-95(68-89)92-42-18-21-45-98(92)114(101)81-35-7-3-8-36-81/h2-70,103H,1H3.
What are the key properties of N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine?
N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine has a molecular weight of 1472.81 g/mol, XLogP of 27.69, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,6-bis[3-[naphthalen-2-yl-(9-phenylcarbazol-3-yl)amino]phenyl]-1,3,5-triazin-2-yl]-6-methylcyclohexa-2,4-dien-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine is sourced from PubChem (CID 163784193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).