N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine

C74H49N3 — CID 145345810

IUPACN-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
SMILESCC1CC=c2c(n(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc23)=C1N(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C74H49N3/c1-46-38-41-59-57-28-12-18-36-68(57)76(48-39-42-54-52-24-6-5-22-50(52)51-23-7-8-25-53(51)61(54)44-48)73(59)72(46)77(49-40-43-69-62(45-49)58-29-13-17-35-67(58)75(69)47-20-3-2-4-21-47)70-37-19-34-66-71(70)60-30-11-16-33-65(60)74(66)63-31-14-9-26-55(63)56-27-10-15-32-64(56)74/h2-37,39-46H,38H2,1H3
InChIKeyYYGMTLODKNFAOW-UHFFFAOYSA-N
MW980.23 g/mol
LogP17.30
Rot. Bonds5

About N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine

N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine (PubChem CID 145345810) has the molecular formula C74H49N3 and a molecular weight of 980.23 g/mol. Its IUPAC name is N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
PubChem CID145345810
Molecular FormulaC74H49N3
Molecular Weight980.23 g/mol
Exact Mass979.39
IUPAC NameN-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine
SMILESCC1CC=c2c(n(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc23)=C1N(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C74H49N3/c1-46-38-41-59-57-28-12-18-36-68(57)76(48-39-42-54-52-24-6-5-22-50(52)51-23-7-8-25-53(51)61(54)44-48)73(59)72(46)77(49-40-43-69-62(45-49)58-29-13-17-35-67(58)75(69)47-20-3-2-4-21-47)70-37-19-34-66-71(70)60-30-11-16-33-65(60)74(66)63-31-14-9-26-55(63)56-27-10-15-32-64(56)74/h2-37,39-46H,38H2,1H3
InChIKeyYYGMTLODKNFAOW-UHFFFAOYSA-N
XLogP17.30
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.23
LogP ≤ 517.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
N-(9,9-diphenylfluoren-4-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790489
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
N-(4-chrysen-4-ylphenyl)-2-methyl-9-phenyl-N-(2-phenylphenyl)-2,3-dihydrocarbazol-1-amine
CID 170139014
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
N-(9,9-diphenylfluoren-3-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121423823
4-N,4-N'-diphenyl-4-N-(9-phenylcarbazol-2-yl)-4-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838007
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
3-N',4-N-diphenyl-4-N-(9-phenylcarbazol-2-yl)-3-N'-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838074
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 90294621
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193232

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine?
The IUPAC name of N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine (CID 145345810) is N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine.
What is the SMILES notation for N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine?
The canonical SMILES for N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine is CC1CC=c2c(n(-c3ccc4c5ccccc5c5ccccc5c4c3)c3ccccc23)=C1N(c1ccc2c(c1)c1ccccc1n2-c1ccccc1)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine?
The InChIKey is YYGMTLODKNFAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H49N3/c1-46-38-41-59-57-28-12-18-36-68(57)76(48-39-42-54-52-24-6-5-22-50(52)51-23-7-8-25-53(51)61(54)44-48)73(59)72(46)77(49-40-43-69-62(45-49)58-29-13-17-35-67(58)75(69)47-20-3-2-4-21-47)70-37-19-34-66-71(70)60-30-11-16-33-65(60)74(66)63-31-14-9-26-55(63)56-27-10-15-32-64(56)74/h2-37,39-46H,38H2,1H3.
What are the key properties of N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine?
N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine has a molecular weight of 980.23 g/mol, XLogP of 17.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-9-triphenylen-2-yl-2,3-dihydrocarbazol-1-yl)-9-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-amine is sourced from PubChem (CID 145345810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).