N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine

C74H51N3 — CID 90128717

IUPACN-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine
SMILESCCCn1c2ccccc2c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4c(c5ccccc35)-c3ccc(-c5ccc(-c6ccccc6)cc5)cc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C74H51N3/c1-2-43-75-68-31-17-13-25-57(68)60-41-38-54(46-71(60)75)76(53-39-42-70-63(45-53)59-27-14-18-32-69(59)77(70)52-21-7-4-8-22-52)72-47-67-73(61-28-10-9-26-58(61)72)62-40-37-51(50-35-33-49(34-36-50)48-19-5-3-6-20-48)44-66(62)74(67)64-29-15-11-23-55(64)56-24-12-16-30-65(56)74/h3-42,44-47H,2,43H2,1H3
InChIKeyDPJHRASKMSZZDR-UHFFFAOYSA-N
MW982.24 g/mol
LogP19.60
Rot. Bonds8

About N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine

N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine (PubChem CID 90128717) has the molecular formula C74H51N3 and a molecular weight of 982.24 g/mol. Its IUPAC name is N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine.

Molecular Properties

Compound NameN-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine
PubChem CID90128717
Molecular FormulaC74H51N3
Molecular Weight982.24 g/mol
Exact Mass981.41
IUPAC NameN-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine
SMILESCCCn1c2ccccc2c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4c(c5ccccc35)-c3ccc(-c5ccc(-c6ccccc6)cc5)cc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C74H51N3/c1-2-43-75-68-31-17-13-25-57(68)60-41-38-54(46-71(60)75)76(53-39-42-70-63(45-53)59-27-14-18-32-69(59)77(70)52-21-7-4-8-22-52)72-47-67-73(61-28-10-9-26-58(61)72)62-40-37-51(50-35-33-49(34-36-50)48-19-5-3-6-20-48)44-66(62)74(67)64-29-15-11-23-55(64)56-24-12-16-30-65(56)74/h3-42,44-47H,2,43H2,1H3
InChIKeyDPJHRASKMSZZDR-UHFFFAOYSA-N
XLogP19.60
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.24
LogP ≤ 519.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[benzo[c]fluorene-7,9'-fluorene]-5-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135167989
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
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
N,9-diphenyl-N-(9-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-3-yl)carbazol-2-amine
CID 164732106
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
2-N',5-N,5-N-triphenyl-2-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775192
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-2-amine
CID 138476470
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157310946
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738

Frequently Asked Questions

What is the IUPAC name of N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine?
The IUPAC name of N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine (CID 90128717) is N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine.
What is the SMILES notation for N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine?
The canonical SMILES for N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine is CCCn1c2ccccc2c2ccc(N(c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c3cc4c(c5ccccc35)-c3ccc(-c5ccc(-c6ccccc6)cc5)cc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine?
The InChIKey is DPJHRASKMSZZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H51N3/c1-2-43-75-68-31-17-13-25-57(68)60-41-38-54(46-71(60)75)76(53-39-42-70-63(45-53)59-27-14-18-32-69(59)77(70)52-21-7-4-8-22-52)72-47-67-73(61-28-10-9-26-58(61)72)62-40-37-51(50-35-33-49(34-36-50)48-19-5-3-6-20-48)44-66(62)74(67)64-29-15-11-23-55(64)56-24-12-16-30-65(56)74/h3-42,44-47H,2,43H2,1H3.
What are the key properties of N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine?
N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine has a molecular weight of 982.24 g/mol, XLogP of 19.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-phenylcarbazol-3-yl)-N-[9-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5-yl]-9-propylcarbazol-2-amine is sourced from PubChem (CID 90128717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).