N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine

C73H46N2 — CID 130308738

IUPACN-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc(N(c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c4)cc32)cc1
InChIInChI=1S/C73H46N2/c1-2-19-51(20-3-1)75-71-32-15-11-28-64(71)65-40-35-50(44-72(65)75)49-18-16-17-48(43-49)47-33-36-52(37-34-47)74(53-38-41-59-57-23-5-4-21-55(57)56-22-6-7-24-58(56)66(59)45-53)54-39-42-63-62-27-10-14-31-69(62)73(70(63)46-54)67-29-12-8-25-60(67)61-26-9-13-30-68(61)73/h1-46H
InChIKeyZMCXFZZBAZSZPT-UHFFFAOYSA-N
MW951.19 g/mol
LogP19.39
Rot. Bonds6

About N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine

N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 130308738) has the molecular formula C73H46N2 and a molecular weight of 951.19 g/mol. Its IUPAC name is N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
PubChem CID130308738
Molecular FormulaC73H46N2
Molecular Weight951.19 g/mol
Exact Mass950.37
IUPAC NameN-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc(N(c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c4)cc32)cc1
InChIInChI=1S/C73H46N2/c1-2-19-51(20-3-1)75-71-32-15-11-28-64(71)65-40-35-50(44-72(65)75)49-18-16-17-48(43-49)47-33-36-52(37-34-47)74(53-38-41-59-57-23-5-4-21-55(57)56-22-6-7-24-58(56)66(59)45-53)54-39-42-63-62-27-10-14-31-69(62)73(70(63)46-54)67-29-12-8-25-60(67)61-26-9-13-30-68(61)73/h1-46H
InChIKeyZMCXFZZBAZSZPT-UHFFFAOYSA-N
XLogP19.39
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.19
LogP ≤ 519.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118505688
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-phenyl-5-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]fluoren-2-amine
CID 118265823
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N,9,9-triphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 118505876
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine (CID 130308738) is N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine is c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-c5ccc(N(c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)c6ccc7c8ccccc8c8ccccc8c7c6)cc5)c4)cc32)cc1.
What is the InChIKey of N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ZMCXFZZBAZSZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N2/c1-2-19-51(20-3-1)75-71-32-15-11-28-64(71)65-40-35-50(44-72(65)75)49-18-16-17-48(43-49)47-33-36-52(37-34-47)74(53-38-41-59-57-23-5-4-21-55(57)56-22-6-7-24-58(56)66(59)45-53)54-39-42-63-62-27-10-14-31-69(62)73(70(63)46-54)67-29-12-8-25-60(67)61-26-9-13-30-68(61)73/h1-46H.
What are the key properties of N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine?
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 951.19 g/mol, XLogP of 19.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 130308738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).