N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

C61H42N2 — CID 168811930

IUPACN-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCCc1ccc2cccc3c2c1C1(c2ccccc2-c2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc21)c1ccccc1-3
InChIInChI=1S/C61H42N2/c1-2-40-28-29-43-18-15-24-53-49-22-10-13-26-55(49)61(60(40)59(43)53)54-25-12-9-21-48(54)50-36-34-46(38-56(50)61)62(45-32-30-42(31-33-45)41-16-5-3-6-17-41)47-35-37-52-51-23-11-14-27-57(51)63(58(52)39-47)44-19-7-4-8-20-44/h3-39H,2H2,1H3
InChIKeyPOVRDVCWTMMEAH-UHFFFAOYSA-N
MW803.02 g/mol
LogP15.98
Rot. Bonds6

About N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine

N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (PubChem CID 168811930) has the molecular formula C61H42N2 and a molecular weight of 803.02 g/mol. Its IUPAC name is N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound NameN-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
PubChem CID168811930
Molecular FormulaC61H42N2
Molecular Weight803.02 g/mol
Exact Mass802.33
IUPAC NameN-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
SMILESCCc1ccc2cccc3c2c1C1(c2ccccc2-c2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc21)c1ccccc1-3
InChIInChI=1S/C61H42N2/c1-2-40-28-29-43-18-15-24-53-49-22-10-13-26-55(49)61(60(40)59(43)53)54-25-12-9-21-48(54)50-36-34-46(38-56(50)61)62(45-32-30-42(31-33-45)41-16-5-3-6-17-41)47-35-37-52-51-23-11-14-27-57(51)63(58(52)39-47)44-19-7-4-8-20-44/h3-39H,2H2,1H3
InChIKeyPOVRDVCWTMMEAH-UHFFFAOYSA-N
XLogP15.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.02
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 134216030
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N,9-diphenyl-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]carbazol-2-amine
CID 170375341
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-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738
9-phenyl-N-(4-phenylphenyl)-N-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylcarbazol-3-amine
CID 135229858
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylcarbazol-3-amine
CID 164730871
2-N'-naphthalen-2-yl-1-N,1-N-diphenyl-2-N'-(9-phenylcarbazol-2-yl)-9,9'-spirobi[fluorene]-1,2'-diamine
CID 164838093
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;methane;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-2-amine
CID 159823788
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158340092
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

Frequently Asked Questions

What is the IUPAC name of N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine (CID 168811930) is N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is CCc1ccc2cccc3c2c1C1(c2ccccc2-c2ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc21)c1ccccc1-3.
What is the InChIKey of N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
The InChIKey is POVRDVCWTMMEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2/c1-2-40-28-29-43-18-15-24-53-49-22-10-13-26-55(49)61(60(40)59(43)53)54-25-12-9-21-48(54)50-36-34-46(38-56(50)61)62(45-32-30-42(31-33-45)41-16-5-3-6-17-41)47-35-37-52-51-23-11-14-27-57(51)63(58(52)39-47)44-19-7-4-8-20-44/h3-39H,2H2,1H3.
What are the key properties of N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine?
N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine has a molecular weight of 803.02 g/mol, XLogP of 15.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 168811930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).